L-丙氨酸氢溴酸盐 | 102029-80-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: L-丙氨酸氢溴酸盐
• 中文别名: L-丙氨酰胺氢溴酸盐
• 英文名称: (S)-2-aminopropanamide monohydrobromide
• 英文别名: L-Alanine amide hydrobromide；(S)-2-aminopropanamide hydrobromide；1-alanine amide hydrobromide；(2S)-2-aminopropanamide;hydrobromide
• CAS: 102029-80-1
• 化学式: BrH*C₃H₈N₂O
• 分子量: 169.021
• InChiKey: BYAVGTZKLGIZPY-DKWTVANSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  7
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  69.1
• 氢给体数：
  3
• 氢受体数：
  2

安全信息

• 海关编码：
  2924199090

反应信息

• 作为反应物：
  描述：

  L-丙氨酸氢溴酸盐 、 2-[[4-(Dioctadecylcarbamoyl)benzoyl]amino]acetic acid 在 氰基磷酸二乙酯 、 三乙胺 作用下， 生成 N-[((S)-1-Carbamoyl-ethylcarbamoyl)-methyl]-N',N'-dioctadecyl-terephthalamide
  参考文献：
  名称：

  Molecular Recognition of Aqueous Dipeptides at Multiple Hydrogen-Bonding Sites of Mixed Peptide Monolayers

  摘要：

  Oligopeptide amphiphiles with different dipeptide moieties of -XYNH(2) (X = Gly and Ala, Y = Gly, Ala, Val, Leu, and Phe) were synthesized. Binding of aqueous dipeptides onto monolayers of equimolar mixtures of these amphiphiles with a benzoic acid amphiphile (2C(18)BCOOH) was investigated by pi-A isotherm measurement, FT-IR spectroscopy, and XPS elemental analysis. For given GlyX dipeptides (X = neutral and hydrophobic residues), the binding ratio was lessened with increasing sizes of the side chain of the Y residue in the GlyY dipeptide moiety of the host amphiphiles. The Langmuir-type saturation behavior was observed for binding of GlyLeu to an equimolar monolayer of 2C(18)BGly(2)NH(2) and 2C(18)BCOOH. Its binding constant of 475 M(-1) was 10 times larger than that observed for a single-component monolayer of 2C(18)BGly(2)NH(2) (K = 35 M(-1)). The saturation guest/host ratio was 0.47. The mode of substrate insertion into the binding site was examined by FT-IR spectroscopy. When the hydrophobic residue was on the C-terminal of a guest dipeptide (GlyX), the C-terminal insertion was selected with accompanying formation of cyclic carboxylic acid dimers at the interface. In the case of XGly guests, the N-terminal insertion with salt bridge formation with the host was observed. When the two residues of a dipeptide had close hydrophobicities, both C- and N-terminal insertions were observed. Formation of these binding sites is apparently induced by dipeptide binding.

  DOI：

  10.1021/ja961526f

文献信息

• Anti-HIV-1 tetrahydroimidazo[1,4]benzodiazepin-2-(thi) ones
  申请人：Janssen Pharmaceutica N.V.

  公开号：US05270464A1

  公开（公告）日：1993-12-14

  Novel tetrahydroimidazo[1,4]benzodiazepin-2-(thi)ones possessing anti-HIV-1 activity, compositions containing these compounds as active ingredients, and methods of treating subjects suffering from HIV-1 infection by administering these compounds. The compounds have the basic structure shown in Formula (I): ##STR1##

  新型四氢咪唑并[1,4]苯二氮杂环己烷-2-(硫)酮具有抗HIV-1活性，含有这些化合物作为活性成分的组合物，以及通过给予这些化合物治疗患有HIV-1感染的受试者的方法。这些化合物具有在式(I)中显示的基本结构：##STR1##
• Synthetic inhibitors of mammalian collagenase
  申请人：Research Corporation Technologies, Inc.

  公开号：US05686422A1

  公开（公告）日：1997-11-11

  The present invention relates to compounds of the formula: R.sub.1 SCH(R.sub.2)CH(R.sub.3)CO-AA.sub.1 \x9bAA.sub.2 !.sub.m \x9bAA.sub.3 !.sub.n --X or HSCH.sub.2 \x9bCH.sub.2 CH(CH.sub.3).sub.2 !CO--Nal--NH.sub.2 wherein Nal is L-3-(2-naphthyl)alanine; m is the integer 0 or 1; n is an integer from 0-2; AA.sub.1 is a non-polar hydrophobic aromatic amino acid; AA.sub.2 is alanine, glycine, leucine, isoleucine or phenylalanine; AA.sub.3 is one of the twenty naturally occurring amino acids, preferably glutamine or arginine; R.sub.1 is hydrogen, alkyl having from 1-10 carbon atoms, alkanoyl having from 2-10 carbon atoms, or aroyl having from 7-10 carbon atoms; R.sub.2 is hydrogen or alkyl having from 1-6 carbon atoms; R.sub.3 is hydrogen, alkyl having from 2-10 carbon atoms, cycloalkyl having from 3-6 carbon atoms, aryl or arylalkyl, wherein aryl moieties have from 6-10 carbon atoms; X is NH.sub.2, OH, OCH.sub.3 or OCH.sub.2 CH.sub.3 ; and salts thereof.

  本发明涉及以下结构的化合物：R.sub.1 SCH(R.sub.2)CH(R.sub.3)CO-AA.sub.1 \x9bAA.sub.2 !.sub.m \x9bAA.sub.3 !.sub.n --X 或 HSCH.sub.2 \x9bCH.sub.2 CH(CH.sub.3).sub.2 !CO--Nal--NH.sub.2，其中Nal是L-3-(2-萘基)丙氨酸；m为整数0或1；n为0-2的整数；AA.sub.1为非极性疏水芳香族氨基酸；AA.sub.2为丙氨酸、甘氨酸、亮氨酸、异亮氨酸或苯丙氨酸；AA.sub.3为二十种天然存在的氨基酸之一，最好为谷氨酰胺或精氨酸；R.sub.1为氢、具有1-10个碳原子的烷基、具有2-10个碳原子的烷酰基或具有7-10个碳原子的芳酰基；R.sub.2为氢或具有1-6个碳原子的烷基；R.sub.3为氢、具有2-10个碳原子的烷基、具有3-6个碳原子的环烷基、芳基或芳基烷基，其中芳基部分具有6-10个碳原子；X为NH.sub.2、OH、OCH.sub.3或OCH.sub.2 CH.sub.3；及其盐。
• Quinuclidine derivatives as substance P antagonists
  申请人：Pfizer Inc.

  公开号：US05569662A1

  公开（公告）日：1996-10-29

  Compounds useful in the treatment of inflammatory disorders, central nervous system disorders and other disorders of formula (I) and the pharmaceutically-acceptable salts thereof, wherein X.sup.1 is alkoxy or halosubstituted alkoxy; X.sup.2 is hydrogen, halogen, alkyl, alkenyl, alkynyl, alkoxy, alkylthio, alkylsulfinyl, alkylsulfonyl, halosubstitued alkyl, halosubstituted alkoxy, alkylamino, dialkylamino, alkylsulfonylamino (which may be substituted), N-alkyl-N-alkylsulfonylamino (which may be substituted), alkanoylamino (which may be substituted) or N-alkyl-N-alkanoylamino (which may be substituted); Ar.sup.1 and Ar.sup.2 are each, independently, thienyl, phenyl, fluorophenyl, chlorophenyl or bromophenyl; A is Y--(CH.sub.2).sub.m --CH(R.sup.2)--(CH.sub.2).sub.n --NR.sup.1 --; R.sup.1 is hydrogen, alkyl, benzyl or --(CH.sub.2).sub.p --Y; R.sup.2 is hydrogen, alkyl (which may be substituted), benzyl, 4-hydroxybenzyl, 3-indolylmethyl or --(CH.sub.2).sub.p --Y; Y is --CN, --CH.sub.2 Z or --COZ; Z is hydroxy, amino, alkoxy, alkylamino or dialkylamino; m, n and p are each, independently, 0, 1, 2 or 3; and R.sup.1 and R.sup.2 may be connected to form a ring.

  式(I)及其药学上可接受的盐，用于治疗炎症性疾病、中枢神经系统疾病和其他疾病的化合物，其中X1是烷氧基或卤代烷氧基；X2是氢、卤素、烷基、烯基、炔基、烷氧基、烷硫基、烷基亚砜基、烷基磺酰基、卤代烷基、卤代烷氧基、烷基氨基、二烷基氨基、烷基磺酰氨基（可以被取代）、N-烷基-N-烷基磺酰氨基（可以被取代）、烷酰氨基（可以被取代）或N-烷基-N-烷酰氨基（可以被取代）；Ar1和Ar2分别独立地为噻吩基、苯基、氟苯基、氯苯基或溴苯基；A为Y-(CH2)m-CH(R2)-(CH2)n-NR1-；R1为氢、烷基、苄基或-(CH2)p-Y；R2为氢、烷基（可以被取代）、苄基、4-羟基苯甲基、3-吲哚甲基或-(CH2)p-Y；Y为-CN、-CH2Z或-COZ；Z为羟基、氨基、烷氧基、烷基氨基或二烷基氨基；m、n和p各自独立地为0、1、2或3；R1和R2可以连接成环。
• Antiretroviral tetrahydroimidazo[1,4]benzodiazepin-2-(thi)ones
  申请人：Janssen Pharmaceutica N.V.

  公开号：US05371079A1

  公开（公告）日：1994-12-06

  The compounds are of the class of tetrahydroimidazo[1,4]benzodiazepin-2-(thi)ones possessing antiretroviral, especially anti-HIV-1, activity. An illustrative compound is (+)-S-4,5,6,7-tetrahydro-9-chloro-5-methyl-6-(3-methyl-2-butenyl)imidazo[4 ,5,1-jk][1,4]benzodiazepine-2(1H)-thione. These compounds are represented by the formula: ##STR1## The application also discloses compositions containing these compounds as active ingredients and methods of treating subjects suffering from retroviral infections by administering said compounds.

  这些化合物属于四氢咪唑[1,4]苯并二氮平-2-(硫)酮类，具有抗逆转录病毒，尤其是抗HIV-1的活性。一个说明性的化合物是(+)-S-4,5,6,7-四氢-9-氯-5-甲基-6-(3-甲基-2-丁烯基)咪唑[4,5,1-jk][1,4]苯并二氮平-2(1H)-硫酮。这些化合物由以下式子表示：##STR1## 该申请还披露了包含这些化合物作为活性成分的组合物以及通过给予这些化合物治疗患有逆转录病毒感染的受试者的方法。
• Bicycloheteroaryl compounds as P2X7 modulators and uses thereof
  申请人：Kelly G. Michael

  公开号：US20070225324A1

  公开（公告）日：2007-09-27

  Bicycloheteroaryl compounds are disclosed that have a formula represented by the following: The compounds may be prepared as pharmaceutical compositions, and may be used for the prevention and treatment of a variety of conditions in mammals including humans, including by way of non-limiting example, pain, inflammation, traumatic injury, and others.

  本发明公开了具有以下式子表示的双环杂芳基化合物：这些化合物可以制备为药物组成物，并可用于哺乳动物，包括人类的预防和治疗多种疾病，例如但不限于疼痛、炎症、创伤性损伤等。