117142-26-4

Basic information

• Product Name: Boc-3-(3-pyridyl)-L-alanine
• Synonyms: BOC-(S)-2-AMINO-3-(3'-PYRIDYL)PROPANOIC ACID;BOC-ALA-BETA-(3-PYRIDYL)-OH;BOC-BETA-(3-PYRIDYL)-ALANINE;BOC-BETA-(3-PYRIDYL)-ALA-OH;BOC-BETA-(3-PYRIDYL)-L-ALANINE;BOC-3'-PYRIDYL-L-ALA;BOC-3-PAL-OH;BOC-ALA(3'-PYRIDYL)-OH
• CAS NO: 117142-26-4
• Molecular Formula: C₁₃H₁₈N₂O₄
• Molecular Weight: 266.29
• Product Categories: Amino Acids;Phenylalanine analogs and other aromatic alpha amino acids;Alanine [Ala, A];Unusual Amino Acids;Boc-Amino acid series;a-amino
• Mol File: 117142-26-4.mol
• Article Data: 1

Chemical Properties

• Melting Point: 136-142 °C
• Boiling Point: 409.5°C (rough estimate)
• Flash Point: 227.7 °C
• Appearance: Off-white to pale yellow/Crystalline Powder
• Density: 1.1738 (rough estimate)
• Vapor Pressure: 5.43E-09mmHg at 25°C
• Refractive Index: 1.6450 (estimate)
• Storage Temp.: −20°C
• PKA: 3.43±0.10(Predicted)
• BRN: 7625087
• CAS DataBase Reference: Boc-3-(3-pyridyl)-L-alanine(CAS DataBase Reference)
• NIST Chemistry Reference: Boc-3-(3-pyridyl)-L-alanine(117142-26-4)
• EPA Substance Registry System: Boc-3-(3-pyridyl)-L-alanine(117142-26-4)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 117142-26-4(Hazardous Substances Data)

Usage

Chemical Properties

off-white to pale yellow crystalline powder

InChI:InChI=1/C13H18N2O4/c1-13(2,3)19-12(18)15-10(11(16)17)7-9-5-4-6-14-8-9/h4-6,8,10H,7H2,1-3H3,(H,15,18)(H,16,17)/t10-/m0/s1

Upstream product

• 24424-99-5 di-tert-butyl dicarbonate 

Downstream Products

• 1416469-49-2 tert-butyl [(2S)-1-{4-[9-(3,4-dimethoxyphenyl)-6-oxo-7,8-diazaspiro[4.5]dec-8-en-7-yl]piperidin-1-yl}-1-oxo-3-(pyridin-3-yl)propan-2-yl]carbamate 
• 1416468-96-6 tert-butyl [(2S)-1-{4-[(4aS,8aR)-4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,6,7,8,8a-hexahydrophthalazin-2(1H)-yl]piperidin-1-yl}-1-oxo-3-(pyridin-3-yl)propan-2-yl]carbamate 
• 1417694-18-8 {(S)-1-[4-(benzyloxycarbonylamino-methyl)-benzylcarbamoyl]-2-pyridin-3-yl-ethyl}-carbamic acid tert-butyl ester 
• 1416467-47-4 4-[5-(cyclopropylmethoxy)-1,3-benzodioxol-4-yl]-N-[(2S)-1-{4-[(4aS,8aR)-4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,6,7,8,8a-hexahydrophthalazin-2(1H)-yl]piperidin-1-yl}-1-oxo-3-(pyridin-3-yl)propan-2-yl]-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide 
• 1416467-46-3 4-[5-(cyclopropylmethoxy)-1,3-benzodioxol-4-yl]-N-[(2S)-1-{4-[(4aS,8aR)-4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,6,7,8,8a-hexahydrophthalazin-2(1H)-yl]piperidin-1-yl}-1-oxo-3-(pyridin-3-yl)propan-2-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide 
• 1416468-47-7 (4aS,8aR)-2-{1-[(2S)-2-amino-3-(pyridin-3-yl)propanoyl]piperidin-4-yl}-4-(3,4-dimethoxyphenyl)-4a,5,6,7,8,8a-hexahydrophthalazin-1(2H)-one 
• 1383709-12-3 ((S)-1-{6-[4-(4-fluoro-phenoxy)-phenyl]-pyridin-2-ylcarbamoyl}-2-pyridin-3-yl-ethyl)-carbamic acid tert-butyl ester 
• 1252801-28-7 C₃₃H₄₀ClN₅O₄ 
• 1329063-29-7 phenylacetyl-aza-allylglycinyl-(2S)-prolyl-(2S)-(3-pyridyl)alaninyl-(3S)-β-homophenylalanine 
• 1329063-28-6 phenylacetyl-aza-phenylalaninyl-(2S)-prolyl-(2S)-(3-pyridyl)-alaninyl-(3S)-β-homophenylalanine 
• 1329063-24-2 phenylacetyl-aza-propargylglycinyl-(2S)-prolyl-(2S)-3-(pyridyl)-alaninyl-(3S)-β-homophenylalanine 
• 1329063-23-1 phenylacetyl-aza-glycinyl-(2S)-prolyl-(2S)-3-pyridinylalaninyl-(3S)-β-homophenylalanine 
• 1329063-81-1 C₂₄H₃₀N₆O₅ 
• 1329063-74-2 C₄₀H₄₄N₆O₆ 

Relevant articles and documents

ANTITHROMBOTIC AMIDINOTETRAHYDROPYRIDYLALANINE DERIVATIVES

This invention is directed to compounds of formula (I), STR1 pharmaceutically acceptable salts thereof, and pharmaceutically acceptable solvates of either entity, wherein Y is optionally monounsaturated C 3-C 5 alkylene optionally substituted with C. sub.1-C 4 alkyl or methylene; R 1 is H; C 1-C 4 alkyl optionally substituted with C 1-C 4 alkoxy, OH, NR 5 R 6, CONR 5 R 6, C 3-C 6 cycloalkyl or aryl; or C 3-C 6 alkenyl; R 2 is H; C 1-C 4 alkyl optionally substituted with C 1-C 4 alkoxy, OH, NR 5 R 6, CONR 5 R 6, C 3-C 6 cycloalkyl or aryl; or CONR 5 R 6 ; R. sup.3 and R 4 are each independently selected from H; C 1-C. sub. 4 alkyl optionally substituted with NR 5 R 6 ; C 1-C. sub.4 alkoxy; halo; CONR 5 R 6 and aryl; aryl is phenyl optionally substituted with one, two or three substituents independently selected from C 1-C 4 alkyl, C 1-C 4 alkoxy, OH, halo and CF 3 ; R 5 and R 6 are each independently selected from H and C 1-C 4 alkyl; and m and n are each independently 1, 2 or 3; which are potent and selective thrombin inhibitors useful in the treatment of inter alia, deep vein thrombosis; reocclusion following thrombolytic therapy; chronic arterial obstruction; peripheral vascular disease; acute myocardial infarction; unstable angina; atrial fibrillation; thrombotic stroke; transient ischaemic attacks; restenosis and occlusion following angioplasty; or neurodegenerative disorders.