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    BUILDING BLOCK

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    Chemistry

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    Also known as: 137281-39-1, Pemetrexed acid, 4-(2-(2-amino-4-oxo-4,7-dihydro-1h-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzoic acid, 4-[2-(2-amino-4,7-dihydro-4-oxo-1h-pymol[2,3-d]pyrimodin-5-yl)ethyl]benzoic acid, 4-[2-(2-amino-4,7-dihydro-4-oxo-1h-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid, 4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid
    Molecular Formula
    C15H14N4O3
    Molecular Weight
    298.30  g/mol
    InChI Key
    AIZPFZIKHIJCQX-UHFFFAOYSA-N
    FDA UNII
    JBZ211669I
    CAS 137281-39-1
    1 2D Structure

    CAS 137281-39-1

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid
    2.1.2 InChI
    InChI=1S/C15H14N4O3/c16-15-18-12-11(13(20)19-15)10(7-17-12)6-3-8-1-4-9(5-2-8)14(21)22/h1-2,4-5,7H,3,6H2,(H,21,22)(H4,16,17,18,19,20)
    2.1.3 InChI Key
    AIZPFZIKHIJCQX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    JBZ211669I
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 137281-39-1

    2. Pemetrexed Acid

    3. 4-(2-(2-amino-4-oxo-4,7-dihydro-1h-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzoic Acid

    4. 4-[2-(2-amino-4,7-dihydro-4-oxo-1h-pymol[2,3-d]pyrimodin-5-yl)ethyl]benzoic Acid

    5. 4-[2-(2-amino-4,7-dihydro-4-oxo-1h-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic Acid

    6. 4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic Acid

    7. Jbz211669i

    8. 4-(2-(2-amino-4,7-dihydro-4-oxo-3h-pyrrolo(2,3-d)pyrimidin-5-yl)ethyl)benzoic Acid

    9. Benzoic Acid, 4-[2-(2-amino-4,7-dihydro-4-oxo-1h-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]- (9ci)

    10. 4-[2-(2-amino-4,7-dihydro-4-oxo-3h-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]-benzoic Acid

    11. 4-[2-(2-amino-4-oxo-4,7-dihydro-1h-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic Acid

    12. Benzoic Acid, 4-(2-(2-amino-4,7-dihydro-4-oxo-3h-pyrrolo(2,3-d)pyrimidin-5-yl)ethyl)-

    13. 4-[2-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoic Acid

    14. 4-(2-(2-amino-4,7-dihydro-4-oxo-3h-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzoic Acid

    15. Pemetrexed Impurity A

    16. Pemetrexed Impurity 2

    17. Schembl207072

    18. Unii-jbz211669i

    19. Schembl9046718

    20. Dtxsid80430861

    21. Amy24215

    22. Bcp22609

    23. Mfcd11040439

    24. Zinc22012024

    25. Akos015897612

    26. Akos037643612

    27. 4-(2-(2-amino-4-oxo-4,7-dihydro-1h-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzoicacid

    28. 4-(2-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzoic Acid

    29. As-17591

    30. A2955

    31. Cs-0109534

    32. Ft-0656473

    33. 281a391

    34. J-006993

    35. J-514224

    36. 2-amino-4,7-dihydro-5-[2-[4-(carboxy)phenyl]ethyl]-4-oxo-3h-pyrrolo[2,3-d]pyrimidine

    37. 4-[2-(2-amino-4,7-dihydro-4-oxo-1h-pymol[2,3-d]pyrimodin-5-yl)ethyl]benzoicacid

    38. 4-[2-(2-amino-4,7-dihydro-4-oxo-1h-pyrrolo[2,3-d]-pyrimidin-5-yl)ethyl]benzoic Acid

    39. 4-[2-(2-amino-4,7-dihydro-4-oxo-3h-pyrrolo [2,3-d]pyrimidin-5-yl)ethyl]benzoic Acid

    40. 4-[2-(2-amino-4,7-dihydro-4-oxo-3h-pyrrolo[2,3-d]pyrimidine-5-yl)ethyl] Benzoic Acid

    41. 4-[2-(2-amino-4,7-dihydro-4-oxo-3h-pyrrolo[2,3-d]pyrimidine-5-yl)ethyl]benzoic Acid

    42. 4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic Acid

    43. 4-[2-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-yl)ethyl]benzoic Acid

    44. Benzoic Acid,4-[2-(2-amino-4,7-dihydro-4-oxo-3h-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]-

    45. 4 -[2-(2- Amino 4 ,7 Dihydro-4-oxo-1h-pymol[2,3-d] Pyrimodin-5-yl) Ethyl] Benzoic Acid

    2.4 Create Date
    2019-01-15
    3 Chemical and Physical Properties
    Molecular Weight 298.30 g/mol
    Molecular Formula C15H14N4O3
    XLogP31
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count4
    Exact Mass298.10659032 g/mol
    Monoisotopic Mass298.10659032 g/mol
    Topological Polar Surface Area121 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity485
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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    SUPPLIERS

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    01

    Everest Organics

    Pemetrexed Intermediate
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    Everest Organics

    India
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    Pemetrexed Intermediate

    CAS Number : 137281-39-1

    End Use API :

    End Use API : Pemetrexed

    About the Company : The Company was incorporated on 19.02.1993 to carry on the business of manufacturing of bulk drugs viz. Omeprazole,Ciprofloxacin, Dichloroflurobenzene, Naproxen, Benzimadizole, etc., ha...

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    Shandong Boyuan Pharmaceutical

    Pemetrexed disodium INT-4
    Global ChemShow
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    Shandong Boyuan Pharmaceutical

    China
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    Pemetrexed disodium INT-4

    CAS Number : 137281-39-1

    End Use API :

    End Use API : Pemetrexed Disodium

    About the Company : 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-q...

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    Synthland Limited

    China
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    4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pyrrol[2,3-d]py...

    CAS Number : 137281-39-1

    End Use API :

    End Use API : Pemetrexed

    About the Company : Synthland is an integrated pharmaceutical company that develops, produce and supplies Active Pharmaceutical Ingredients (APIs) and Intermediates. We also represent some well-known GMP ...

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    END USE APIs

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    01

    Pemetrexed

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    Rochem International Inc

    U.S.A

    Rochem, your partner in developing, sourcing, and supplying pharmaceutical & animal health ingredients of Chinese origin.

    Gonane Pharma

    India

    Gonane has API manufacturing expertise in new-age Corticosteroids, Hormones and other pharma raw materials.

    HRV Pharma

    India

    HRV Pharma - Market Expansion Leader in Pharmaceuticals.

    TAPI Technology & API Ser...

    Israel

    TAPI, a leading global supplier of APIs, provides over 350 products and customized CDMO solutions for every stage of development.

    Anax Laboratories

    India

    Aspire Lifesciences Pvt L...

    India

    02

    Pemetrexed Disodium

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    Rochem International Inc

    U.S.A

    Rochem, your partner in developing, sourcing, and supplying pharmaceutical & animal health ingredients of Chinese origin.

    ChemWerth Inc

    U.S.A

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    LGM Pharma

    U.S.A

    LGM Pharma accelerates & optimizes the new product pathway from early development through commercialization.

    Dr. Reddy's Laboratories

    India

    DRL offers a portfolio of products & services, including APIs, CMO services, generics, biosimilars & differentiated formulations.

    Emay Pharmaceuticals

    India

    Emay Pharmaceuticals is a GMP-certified API manufacturing company.

    Shanghai Minbiotech

    China

    Shanghai Minbiotech is the leading producer of biopharmaceuticals and a variety of high-end generic & innovative drugs.

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