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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 90580-64-6, 2-amino-3-(4-boronophenyl)propanoic acid, Alanine, 3-(p-boronophenyl)-, Boronophenylalanine, dl-, Uid84303el, Boronophenylalanine

Molecular Formula

C₉H₁₂BNO₄

Molecular Weight

209.01 g/mol

InChI Key

NFIVJOSXJDORSP-UHFFFAOYSA-N

FDA UNII

UID84303EL

1 2D Structure

P-Borono-L-Phenylalanine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-amino-3-(4-boronophenyl)propanoic acid

2.1.2 InChI

InChI=1S/C9H12BNO4/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15/h1-4,8,14-15H,5,11H2,(H,12,13)

2.1.3 InChI Key

NFIVJOSXJDORSP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

B(C1=CC=C(C=C1)CC(C(=O)O)N)(O)O

2.2 Other Identifiers

2.2.1 UNII

UID84303EL

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4-boronophenylalanine

2. 4-boronophenylalanine Hydrochloride

3. 4-boronophenylalanine Hydrochloride, (10)b

4. 4-boronophenylalanine, (10)b

5. L-(10)bpa

6. L-(4-(10)boronophenyl)alanine

7. P-boronophenylalanine

8. P-bpa Compound

9. P-bpa Cpd

10. Para-borono-l-phenylalanine

11. Para-boronophenylalanine

2.3.2 Depositor-Supplied Synonyms

1. 90580-64-6

2. 2-amino-3-(4-boronophenyl)propanoic Acid

3. Alanine, 3-(p-boronophenyl)-

4. Boronophenylalanine, Dl-

5. Uid84303el

6. Boronophenylalanine

7. Phenylalanine, 4-borono-

8. Phenylalanine,4-borono-

9. 3-(p-boronophenyl)alanine

10. Unii-uid84303el

11. Dl-boronophenylalanine

12. 4-(2-amino-2-carboxyethyl)benzeneboronic Acid

13. Borofalan, Dl-

14. P-borono-l-phenylalanine

15. P-(2-amino-2-carboxyethyl)benzeneboronic Acid

16. Benzeneboronic Acid, P-(2-amino-2-carboxyethyl)-

17. Schembl204497

18. 2-amino-3-[4-(dihydroxyboryl)phenyl]propanoic Acid

19. Dl-p-boronophenylalanine

20. 2-amino-3-[4-(dihydroxyboranyl)phenyl]propanoic Acid

21. Chembl298071

22. P-(dihydroxyboryl)phenylalanine

23. B(10) Boronophenylalanine

24. 4-borono-dl-phenylalanine, 95%

25. (+/-)-p-boronophenylalanine

26. Mfcd01863704

27. Nsc667936

28. Nsc670879

29. Akos015833561

30. Boronophenylalanine, (+/-)-

31. Ab08136

32. Ab10735

33. Nsc-667936

34. Nsc-670879

35. 2-amino-3-(4-boronophenyl)propanoicacid

36. 4-boronophenylalanine, (+/-)-

37. Ls-13635

38. 2-amino-3-(4-boronophenyl)propionic Acid

39. Db-041009

40. Db-056057

41. Db-057212

42. Bb 0260312

43. Cs-0084675

44. Ft-0617688

45. Ft-0617689

46. Ft-0617691

47. F77063

48. P-borono-l-phenylalanine (sup 10)boron Enriched

49. 4-(dihydroxyboryl)-alpha-aminobenzenepropanoic Acid

50. 2-amino-3-[4-(dihy-droxyboryl)phenyl]propanoic Acid

51. Q27291095

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₂BNO₄
Molecular Weight	209.01 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	209.0859380 g/mol
Monoisotopic Mass	209.0859380 g/mol
Topological Polar Surface Area	104 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	216
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Radiation-Sensitizing Agents

Drugs used to potentiate the effectiveness of radiation therapy in destroying unwanted cells. (See all compounds classified as Radiation-Sensitizing Agents.)

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