1-Fmoc-4-(Boc-氨基)哌啶-4-甲酸 | 368866-07-3

• 物质功能分类: 生物化工 - 氨基酸及其衍生物 - 其他氨基酸衍生物
• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 中文名称: 1-Fmoc-4-(Boc-氨基)哌啶-4-甲酸
• 中文别名: 4-(叔丁氧羰基氨基)-1-芴甲氧羰基哌啶-4-羧酸
• 英文名称: 4-(tert-butoxycarbonylamino)-1-fluorenylmethoxycarbonylpiperidine-4-carboxylic acid
• 英文别名: Boc-4-amino-1-Fmoc-(piperidine)-4-carboxylic acid；4-(Boc-amino)-1-Fmoc-piperdine-4-carboxylic Acid；1-(9H-fluoren-9-ylmethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid
• CAS: 368866-07-3
• 化学式: C₂₆H₃₀N₂O₆
• mdl: MFCD02683117
• 分子量: 466.534
• InChiKey: SHJZHFAOEGNFGY-UHFFFAOYSA-N

物化性质

• 沸点：
  569.36°C (rough estimate)
• 密度：
  1.2464 (rough estimate)
• 溶解度：
  soluble in No data available

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  34
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.423
• 拓扑面积：
  105
• 氢给体数：
  2
• 氢受体数：
  6

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2922499990
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Name:	N-BOC-AMINO-(4-N-FMOC-PIPERIDINYL)CARBOXYLIC ACID Material Safety Data Sheet
Synonym:	N-(tert-Butoxycarbonyl)-amino-(4-N-FMOC-piperidinyl)carboxylic acid.
CAS:	368866-07-3

Section 1 - Chemical Product MSDS Name: N-BOC-AMINO-(4-N-FMOC-PIPERIDINYL)CARBOXYLIC ACID Material Safety Data Sheet
Synonym: N-(tert-Butoxycarbonyl)-amino-(4-N-FMOC-piperidinyl)carboxylic acid.

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SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
368866-07-3	N-BOC-Amino-(4-N-FMOC-piperidinyl)carb	ca. 100	unlisted

+++++
Hazard Symbols: XI

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SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin. Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled. Can produce delayed pulmonary edema.
Chronic:
No information found.

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SECTION 4 - FIRST AID MEASURES
Eyes:
Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation.
Notes to Physician:
Treat symptomatically and supportively.

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SECTION 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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SECTION 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation.

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SECTION 7 - HANDLING and STORAGE
Handling:
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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SECTION 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 368866-07-3: Personal Protective Equipment
Eyes:
Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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SECTION 9 - PHYSICAL AND CHEMICAL PROPERTIES
Physical State: Solid
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C26H30N2O6
Molecular Weight: 466.53

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SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 368866-07-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N-BOC-Amino-(4-N-FMOC-piperidinyl)carboxylic acid - Not listed by ACGIH, IARC, or NTP.

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SECTION 12 - ECOLOGICAL INFORMATION

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SECTION 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations.

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SECTION 14 - TRANSPORT INFORMATION IATA Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material.

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SECTION 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 368866-07-3: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 368866-07-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 368866-07-3 is not listed on the TSCA inventory. It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 3/20/2003 Revision #1 Date: 6/23/2003 The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1-Fmoc-4-(Boc-氨基)哌啶-4-甲酸 在 4-二甲氨基吡啶 、 甲基锂 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 5.0h， 生成
  参考文献：
  名称：

  POLYPEPTIDE COMPOUND, PHARMACEUTICAL COMPOSITION, PREPARATION METHOD AND APPLICATION THEREOF

  摘要：

  本发明公开了一种多肽化合物、一种药物组合物以及其制备方法和用途。该多肽化合物的结构式如通式（I）所示：作为κ-阿片受体激动剂的这种多肽化合物具有更好的活性和成为临床候选化合物的潜力。

  公开号：

  US20210139537A1
• 作为产物：
  描述：

  二碳酸二叔丁酯 在 palladium 10% on activated carbon 、 氢气 、 碳酸氢钠 、 sodium hydroxide 作用下， 以 1,4-二氧六环 、 甲醇 、 水 、 乙腈 为溶剂， 30.0 ℃ 、500.01 kPa 条件下， 反应 28.5h， 生成 1-Fmoc-4-(Boc-氨基)哌啶-4-甲酸
  参考文献：
  名称：

  CN115650903

  摘要：

  公开号：

文献信息

• 4-PHENYL-1,3-THIAZOLES AND 4-PHENYL-1,3-OXAZOLES DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS
  申请人：Harnett Jeremiah

  公开号：US20110059970A1

  公开（公告）日：2011-03-10

  The present invention relates to new 4-phenyl-1,3-azole derivatives having the general formula (I) wherein R1, R2, R3, R4, X, A, B, and n are variable, in a racemic form, an enantiomeric form or any combinations thereof. These compounds exhibit affinity for cannabinoid receptors and may therefore be used as drugs to treat or prevent pathological states and diseases in which one or more of these receptors are involved. The invention also relates to pharmaceutical compositions containing said products and to the use thereof to prepare a drug.

  本发明涉及具有一般式(I)的新4-苯基-1,3-唑衍生物，其中R1、R2、R3、R4、X、A、B和n是可变的，在消旋形式、对映异构体形式或任何组合中。这些化合物对大麻素受体具有亲和力，因此可用作药物治疗或预防涉及其中一个或多个这些受体的病理状态和疾病。本发明还涉及含有所述产品的药物组合物以及利用它们制备药物的用途。
• [EN] SYNTHETIC PEPTIDE AMIDE COMPOUND AND ITS USE IN THE FIELD OF MEDICINE<br/>[FR] COMPOSÉ AMIDE DE PEPTIDE SYNTHÉTIQUE ET SON UTILISATION DANS LE DOMAINE DE LA MÉDECINE
  申请人：CHENGDU SINTANOVO BIOTECHNOLOGY CO LTD

  公开号：WO2021197283A1

  公开（公告）日：2021-10-07

  The invention discloses a synthetic peptide amide compound, which belongs to the field of medicine, and specifically discloses a synthetic peptide amide compound containing a boronic acid group and a preparation method thereof. The invention also discloses use of the synthetic peptide amide compound in the manufacture of a medicament for preventing or treating various diseases associated with κ-opioid receptors.

  该发明揭示了一种合成肽酰胺化合物，属于医学领域，具体揭示了一种含有硼酸基团的合成肽酰胺化合物及其制备方法。该发明还揭示了利用该合成肽酰胺化合物制造用于预防或治疗与κ-阿片受体相关的各种疾病的药物。
• Synthetic peptide amides
  申请人：Cara Therapeutics, Inc.

  公开号：US07402564B1

  公开（公告）日：2008-07-22

  The invention relates to synthetic peptide amide ligands of the kappa opioid receptor and particularly to agonists of the kappa opioid receptor that exhibit low P450 CYP inhibition and low penetration into the brain. The synthetic peptide amides of the invention conform to the structure of formula I: Pharmaceutical compositions containing these compounds are useful in the prophylaxis and treatment of pain and inflammation associated with a variety of diseases and conditions. Such treatable pain includes visceral pain, neuropathic pain and hyperalgesia. Inflammation associated with conditions such as IBD and IBS, ocular and otic inflammation, other disorders and conditions such as pruritis, edema, hyponatremia, hypokalemia, ileus, tussis and glaucoma are treatable or preventable with the pharmaceutical compositions of the invention.

  该发明涉及合成肽酰胺配体与kappa阿片受体，特别是kappa阿片受体激动剂，表现出低的P450 CYP抑制作用和低的脑内渗透性。该发明的合成肽酰胺符合以下结构的结构：含有这些化合物的药物组合物在预防和治疗与多种疾病和病况相关的疼痛和炎症方面是有用的。这种可治疗的疼痛包括内脏疼痛、神经病性疼痛和过敏症。与疾病如炎症性肠病和肠易激综合症、眼部和耳部炎症、其他疾病和病况如瘙痒、水肿、低钠血症、低钾血症、肠梗阻、咳嗽和青光眼相关的炎症可以通过该发明的药物组合物进行治疗或预防。
• SYNTHETIC PEPTIDE AMIDES
  申请人：Schteingart Claudio D.

  公开号：US20090075907A1

  公开（公告）日：2009-03-19

  The invention relates to synthetic peptide amide ligands of the kappa opioid receptor and particularly to agonists of the kappa opioid receptor that exhibit low P 450 CYP inhibition and low penetration into the brain. The synthetic peptide amides of the invention conform to the structure of formula I: Pharmaceutical compositions containing these compounds are useful in the prophylaxis and treatment of pain and inflammation associated with a variety of diseases and conditions. Such treatable pain includes visceral pain, neuropathic pain and hyperalgesia. Inflammation associated with conditions such as IBD and IBS, ocular and otic inflammation, other disorders and conditions such as pruritis, edema, hyponatremia, hypokalemia, ileus, tussis and glaucoma are treatable or preventable with the pharmaceutical compositions of the invention.

  本发明涉及合成肽酰胺类κ-阿片受体配体，特别涉及表现出低P450CYP抑制和低脑内渗透的κ-阿片受体激动剂。本发明的合成肽酰胺符合公式I的结构：含有这些化合物的药物组合物在预防和治疗与各种疾病和病况相关的疼痛和炎症方面非常有用。这种可治疗的疼痛包括脏器疼痛，神经病理性疼痛和过度疼痛反应。与条件，如炎症相关的炎症，眼部和耳部炎症，其他疾病和病况，如瘙痒，水肿，低钠血症，低钾血症，肠梗阻，咳嗽和青光眼，均可通过本发明的药物组合物得到治疗或预防。
• SYNTHETIC PEPTIDE AMIDES AND DIMERIC FORMS THEREOF
  申请人：Schteingart Claudio D.

  公开号：US20100075910A1

  公开（公告）日：2010-03-25

  The invention relates to synthetic peptide amides that are ligands of the kappa opioid receptor and particularly to agonists of the kappa opioid receptor that exhibit low P 450 CYP inhibition and low penetration into the brain. The synthetic peptide amides of the invention conform to the structure: wherein Xaa is a D-amino acid and G is selected from the following three groups: The compounds are useful in the prophylaxis and treatment of pain, pruritus and inflammation associated with a variety of diseases and conditions.

  本发明涉及合成的肽酰胺，它们是kappa阿片受体的配体，特别是kappa阿片受体的激动剂，表现出低的P450CYP抑制和低的进入大脑的能力。本发明的合成肽酰胺符合以下结构：其中Xaa是D-氨基酸，G选择自以下三个组：这些化合物在预防和治疗与各种疾病和情况相关的疼痛、瘙痒和炎症方面非常有用。