k-252a | 97161-97-2

• 物质功能分类: 生物化工 - 抑制剂
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: k-252a
• 英文别名: methyl 16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylate
• CAS: 97161-97-2；99533-80-9
• 化学式: C₂₇H₂₁N₃O₅
• 分子量: 467.5
• InChiKey: KOZFSFOOLUUIGY-UHFFFAOYSA-N

物化性质

• 熔点：
  262-273℃ (decomposition) (methanol )
• 沸点：
  685.3±55.0 °C(Predicted)
• 密度：
  1.68
• 闪点：
  87℃
• 溶解度：
  DMF：1 mg/mL

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  35
• 可旋转键数：
  2
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  94.7
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 安全说明：
  S22,S24/25
• WGK Germany：
  3
• 海关编码：
  29349990
• 储存条件：
  -20°C，密封保存于干燥处。

SDS

Name:	K-252a Material Safety Data Sheet
Synonym:
CAS:	97161-97-2

Section 1 - Chemical Product MSDS Name:K-252a Material Safety Data Sheet
Synonym:

---

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
97161-97-2	K-252a		unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

---

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
Not available.

---

Section 4 - FIRST AID MEASURES
Eyes: 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.
Ingestion:
Get medical aid. 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.
Notes to Physician:

---

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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

---

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.

---

Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a tightly closed container. Deep freeze (below -20C).

---

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 97161-97-2: Personal Protective Equipment Eyes: Not available.
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.

---

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: off-white
Odor: odorless
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Insoluble.
Specific Gravity/Density:
Molecular Formula: C27H21N3O5
Molecular Weight: 467.1641

---

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Not available.
Incompatibilities with Other Materials:
Not available.
Hazardous Decomposition Products:
Not available.
Hazardous Polymerization: Will not occur.

---

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 97161-97-2: NZ0550000 LD50/LC50:
Not available.
Carcinogenicity:
K-252a - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

---

Section 12 - ECOLOGICAL INFORMATION

---

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

---

Section 14 - TRANSPORT INFORMATION

IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

---

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 97161-97-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 97161-97-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 97161-97-2 is not listed on the TSCA inventory.
It is for research and development use only.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

K-252a

简介 K-252a 是一种从土壤真菌Nocardiopsis sp.中分离得到的十字孢碱类似物，是蛋白激酶抑制剂。其对PKC、PKA、II型钙调素依赖性激酶和磷酸化酶激酶的IC50值分别为470 nM、140 nM、270 nM和1.7 nM。此外，K-252a 还有效抑制 NGF 受体 gp140trk 的酪氨酸蛋白激酶 (TRK) 活性，IC50 值为3 nM。

生物活性 K-252a 对多种蛋白激酶的抑制作用包括：

• PKC：IC50 470 nM
• PKA：IC50 140 nM
• II型钙调素依赖性激酶：IC50 270 nM
• 磷酸化酶激酶：IC50 1.7 nM

体外研究 在细胞实验中，K-252a 表现出显著的生物活性：

• Western Blot 分析：使用 LINC00641 过表达细胞系，在 NGF (50 ng/mL) 存在下，以 1.7 nM 浓度孵育6小时后，检测到 Akt 和 TrkB 磷酸化水平的降低。
• 细胞活力测定：对于 PC12 子克隆 h 细胞，在3至100 nM 浓度范围内，8天的孵育抑制了 NGF 促进的神经突生长。

体内研究 在动物实验中，K252a 的使用显示出了显著效果：

• 模型动物：小鼠
• 给药剂量与途径：20 mg/kg/日，经腹腔注射连续5天
• 结果：抑制 TrkB 通路后，减轻了多巴胺（TH）诱导的神经保护作用。

反应信息

• 作为反应物：
  描述：

  k-252a 生成 methyl 4,23-diacetyl-16-acetyloxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20(25),21,23,26-nonaene-16-carboxylate
  参考文献：
  名称：

  MURAGATA, TSUTOMU;SATO, AKIRA;KAVANISI, MASATSUGU;KOBAYASI, EHJDZI;MORIMO+

  摘要：

  DOI：

文献信息

• METHODS, COMPOSITIONS AND KITS FOR PROMOTING MOTOR NEURON SURVIVAL AND TREATING AND DIAGNOSING NEURODEGENERATIVE DISORDERS
  申请人：PRESIDENT AND FELLOWS OF HARVARD COLLEGE

  公开号：US20160082015A1

  公开（公告）日：2016-03-24

  Methods, compositions, and kits for promoting motor neuron survival and for treatment and diagnosis of neurodegenerative disorders such as Amyotrophic lateral sclerosis (ALS) and Spinal muscular atrophy (SMA) are described herein.

  本文描述了促进运动神经元存活以及治疗和诊断神经退行性疾病，如肌萎缩侧索硬化症（ALS）和脊髓性肌萎缩症（SMA）的方法、组合物和试剂盒。
• KOYAMA, MASAO;SEHSAKI, MASADZI;IVATA, MITIAKI;TAKEHDA, UEHTO;KAI, FUMIO
  作者：KOYAMA, MASAO、SEHSAKI, MASADZI、IVATA, MITIAKI、TAKEHDA, UEHTO、KAI, FUMIO

  DOI：——

  日期：——
• DIFFERENTIATION OF HUMAN EMBRYONIC STEM CELLS
  申请人：Janssen Biotech, Inc.

  公开号：EP2516626B1

  公开（公告）日：2017-05-10
• METHODS FOR ESTABLISHING COMBINATIONS OF KINASE INHIBITORS FOR THE TREATMENT OF MEDICAL CONDITIONS
  申请人：SALGOMED, INC.

  公开号：US20160019374A1

  公开（公告）日：2016-01-21

  Methods that incorporate drug libraries and in vitro measurements to predict the response of cells to previously untested drug combinations containing two or more compounds to identify drug combinations for use as a pharmaceutical in the treatment of cancers and other disease using regression analysis of cell-based assays.
• COMBINATION THERAPIES FOR MALARIA
  申请人：THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

  公开号：US20160151379A1

  公开（公告）日：2016-06-02

  The present disclosure provides methods for treating or preventing malaria by administration of a protein kinase inhibitor and optionally one or both of a further protein kinase inhibitor and an antimalarial drug to a mammalian subject infected with or at risk of exposure to Plasmodium sp. In some aspects, the therapeutic and prophylactic regimens of the present disclosure are effective in reducing parasite development in mosquitoes feeding on recipients of the regimens. Additionally, the present disclosure provides methods for screening candidate antimalarial agents.