CAS 146464-91-7

Chemistry, 1 End Use API, 2 Related Intermediates

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Also known as: 146464-91-7, 6-pteridinepropanoic acid, 2,4-diamino-alpha-[4-(methoxycarbonyl)phenyl]-alpha-2-propyn-1-yl-, methyl ester, Methyl 4-[2-[(2,4-diaminopteridin-6-yl)methyl]-1-methoxy-1-oxopent-4-yn-2-yl]benzoate, 2,4-diamino-alpha-[4-(methoxycarbonyl)phenyl]-alpha-2-propynyl-6-pteridinepropanoic acid methyl ester, 6-pteridinepropanoic acid, 2,4-diamino-, A-[4-(methoxycarbonyl)phenyl]-

Molecular Formula

C₂₁H₂₀N₆O₄

Molecular Weight

420.4 g/mol

InChI Key

DDPOXTVFAFZLJO-UHFFFAOYSA-N

1 2D Structure

CAS 146464-91-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 4-[2-[(2,4-diaminopteridin-6-yl)methyl]-1-methoxy-1-oxopent-4-yn-2-yl]benzoate

2.1.2 InChI

InChI=1S/C21H20N6O4/c1-4-9-21(19(29)31-3,13-7-5-12(6-8-13)18(28)30-2)10-14-11-24-17-15(25-14)16(22)26-20(23)27-17/h1,5-8,11H,9-10H2,2-3H3,(H4,22,23,24,26,27)

2.1.3 InChI Key

DDPOXTVFAFZLJO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC(=O)C1=CC=C(C=C1)C(CC#C)(CC2=CN=C3C(=N2)C(=NC(=N3)N)N)C(=O)OC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 146464-91-7

2. 6-pteridinepropanoic Acid, 2,4-diamino-alpha-[4-(methoxycarbonyl)phenyl]-alpha-2-propyn-1-yl-, Methyl Ester

3. Methyl 4-[2-[(2,4-diaminopteridin-6-yl)methyl]-1-methoxy-1-oxopent-4-yn-2-yl]benzoate

4. 2,4-diamino-alpha-[4-(methoxycarbonyl)phenyl]-alpha-2-propynyl-6-pteridinepropanoic Acid Methyl Ester

5. 6-pteridinepropanoic Acid, 2,4-diamino-

6. A-[4-(methoxycarbonyl)phenyl]-

7. A-2-propyn-1-yl-, Methyl Ester

8. Methyl 4-{2-[(2,4-diaminopteridin-6-yl)methyl]-1-methoxy-1-oxopent-4-yn-2-yl}benzoate

9. Schembl15055178

10. Dtxsid60447876

11. Cs-m1831

12. Akos037650012

13. Cs-14079

14. C12061

15. Methyl4-(2-((2,4-diaminopteridin-6-yl)methyl)-1-methoxy-1-oxopent-4-yn-2-yl)benzoate

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₂₀N₆O₄
Molecular Weight	420.4 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	8
Exact Mass	420.15460314 g/mol
Monoisotopic Mass	420.15460314 g/mol
Topological Polar Surface Area	156 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	703
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

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CAS Number

146464-91-7

Intermediate Name

2, 4-diamino-alpha-[4-(methoxycarbo...

About the Company

Louis Pharmaceuticals Private Limited is an Advanced Intermediates Manufacturing firm. The Company is est...

Louis Pharmaceuticals Private Limited is an Advanced Intermediates Manufacturing firm. The Company is established in 2009 and has an integrated focus from various disciplines including R&D, Quality Control, Quality Assurance, Environment, Human Resource, DRA, and Manufacturing teams. Louis Pharma has ISO 9001:2015 certification, Maintaining cGMP standards and meeting the current US DMF requirements.

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