CAS 114457-94-2

Chemistry, 3 End Use API, 9 Related Intermediates

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Also known as: 114457-94-2, N-(pyrazinylcarbonyl)-l-phenylalanine, N-pyrazinylcarbonyl-l-phenylalanine, (s)-3-phenyl-2-[(pyrazin-2-ylcarbonyl)amino] propanoic acid, (2s)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoic acid, Bortezomib (m4)

Molecular Formula

C₁₄H₁₃N₃O₃

Molecular Weight

271.27 g/mol

InChI Key

DWYZPDHMMZGQAP-NSHDSACASA-N

FDA UNII

9R67B83S2T

1 2D Structure

CAS 114457-94-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoic acid

2.1.2 InChI

InChI=1S/C14H13N3O3/c18-13(12-9-15-6-7-16-12)17-11(14(19)20)8-10-4-2-1-3-5-10/h1-7,9,11H,8H2,(H,17,18)(H,19,20)/t11-/m0/s1

2.1.3 InChI Key

DWYZPDHMMZGQAP-NSHDSACASA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=NC=CN=C2

2.1.5 Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)C2=NC=CN=C2

2.2 Other Identifiers

2.2.1 UNII

9R67B83S2T

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 114457-94-2

2. N-(pyrazinylcarbonyl)-l-phenylalanine

3. N-pyrazinylcarbonyl-l-phenylalanine

4. (s)-3-phenyl-2-[(pyrazin-2-ylcarbonyl)amino] Propanoic Acid

5. (2s)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoic Acid

6. Bortezomib (m4)

7. (s)-3-phenyl-2-[(pyrazine-2-carbonyl)-amino]-propionic Acid

8. L-phenylalanine, N-(pyrazinylcarbonyl)-

9. 9r67b83s2t

10. N-(pyrazinylcarbonyl)-l-phenylalanine , (+)-

11. (s)-3-phenyl-2-(((pyrazin-2-yl)carbonyl)amino)propanoic Acid

12. (s)-3-phenyl-2-[[(pyrazin-2-yl)carbonyl]amino]propanoic Acid

13. (s)-3-phenyl-2-((pyrazin-2-ylcarbonyl)amino)propanoic Acid

14. (s)-3-phenyl-2-[(pyrazin-2-ylcarbonyl)amino]propanoic Acid

15. L-phenylalanine, N-(2-pyrazinylcarbonyl)-

16. Mfcd09800536

17. Pyrazine-2-carbonylphenylalanine

18. Bortezomib Impurity B

19. 1093959-75-1

20. N-(pyrazine-2-yl-carbonyl)-l-phenylalanine

21. Schembl535687

22. Unii-9r67b83s2t

23. (s)-3-phenyl-2-(pyrazine-2-carboxamido)propanoicacid

24. N-pyrazineformyl-l-phenylalanine

25. Chembl4557886

26. Amy1063

27. Dtxsid80567409

28. Zinc16698311

29. Akos010373022

30. Ac-9333

31. Cs-w020144

32. N-(pyrazine-2-carbonyl)-l-phenylalanine

33. As-18728

34. N-(pyrazine-2-ylcarbonyl)-l-phenylalanine

35. Db-032318

36. P2068

37. A803186

38. Q-102519

39. (s)-3-phenyl-2-(pyrazine-2-carboxamido) Propanoic Acid

40. (2s)-3-phenyl-2-[[(pyrazin-2-yl)carbonyl]amino]propanoic Acid

2.4 Create Date

2007-02-09

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₃N₃O₃
Molecular Weight	271.27 g/mol
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	271.09569129 g/mol
Monoisotopic Mass	271.09569129 g/mol
Topological Polar Surface Area	92.2 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	343
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Shandong Boyuan Pharmaceutical

Shandong Boyuan is a Chinese manufacturer of GMP & CEP APIs & pharmaceutical intermediates.

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CAS Number

114457-94-2

End Use API

Bortezomib

About the Company

We are one of the well-known manufacturers of key APIs & intermediates in China, with 20 years of experie...

We are one of the well-known manufacturers of key APIs & intermediates in China, with 20 years of experience & presence in 20+ countries. At Boyuan, we are committed to providing high-quality products & services. Formerly known as “Jinan Boyuan Chemical Co., Ltd” & “Shandong Boyuan Chemical Co., Ltd.” Boyuan was founded in June 2001. We have 2 manufacturing plants in the cities of Jiyang & Yucheng in Shandong Province, China & both are in line with the GMP standard, following a strict quality system & conforming with international standards. Boyuan is dedicated to anti-cancer, anti-fungal & other APIs & intermediates associated.

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Prajna Generics

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(R)-3-methyl-1-((3aS,4S,6S,7aS)-3a,5,5- trimethylhexahy...

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114457-94-2

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Prajna is an innovation driven pharmaceutical company. We dedicated to Research, Process development and ...

Prajna is an innovation driven pharmaceutical company. We dedicated to Research, Process development and Manufacturing APIs and Advanced Intermediates for Active Pharmaceutical Ingredients (APIs) for the global pharmaceutical companies. It provides value-added services in Contract Research, Custom Synthesis, and Specialties Scientific technology (Green Process, APIs Process Development, Polymorphism, Crystallisation and Purification) for Pharmaceutical and Life Sciences industry.

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114457-94-2

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Shanghai fine pharma founded in 2014, is a professional enterprise with chemical reagents and fine chemic...

Shanghai fine pharma founded in 2014, is a professional enterprise with chemical reagents and fine chemical products development, development and trade. The company has a sound research and development system, advanced technology and equipment, and has a strong ability of independent research and development and innovation. The company has a complete sales network and a comprehensive service system. All kinds of chemical products sold are widely used in pharmaceutical enterprises, scientific research institutions, tertiary institutions, medical institutions, inspection and quarantine, analytical and testing enterprises, etc.

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