Jinan Lead Pharmaceutical Technology | CAS 1187595-90-9 | Related Intermediates | Manufacturers & Suppliers

CAS 1187595-90-9

Chemistry, 1 End Use API, 14 Related Intermediates

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Also known as: 1187595-90-9, [4-[1-[3-(cyanomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate, 2,2-dimethyl-propionic acid 4-[1-(3-cyanomethyl-1-ethanesulfonyl-azetidin-3-yl)-1h-pyrazol-4-yl]-pyrrolo[2,3-d]pyrimidin-7-ylmethyl ester, Schembl870570, Amy9144, Bcp34619

Molecular Formula

C₂₂H₂₇N₇O₄S

Molecular Weight

485.6 g/mol

InChI Key

WENIISNHSRPUOW-UHFFFAOYSA-N

1 2D Structure

CAS 1187595-90-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[4-[1-[3-(cyanomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate

2.1.2 InChI

InChI=1S/C22H27N7O4S/c1-5-34(31,32)28-12-22(13-28,7-8-23)29-11-16(10-26-29)18-17-6-9-27(19(17)25-14-24-18)15-33-20(30)21(2,3)4/h6,9-11,14H,5,7,12-13,15H2,1-4H3

2.1.3 InChI Key

WENIISNHSRPUOW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCS(=O)(=O)N1CC(C1)(CC#N)N2C=C(C=N2)C3=C4C=CN(C4=NC=N3)COC(=O)C(C)(C)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1187595-90-9

2. [4-[1-[3-(cyanomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate

3. 2,2-dimethyl-propionic Acid 4-[1-(3-cyanomethyl-1-ethanesulfonyl-azetidin-3-yl)-1h-pyrazol-4-yl]-pyrrolo[2,3-d]pyrimidin-7-ylmethyl Ester

4. Schembl870570

5. Amy9144

6. Bcp34619

7. Cs-0456913

2.3 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₂₇N₇O₄S
Molecular Weight	485.6 g/mol
XLogP3	0.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	9
Exact Mass	485.18452354 g/mol
Monoisotopic Mass	485.18452354 g/mol
Topological Polar Surface Area	144 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	916
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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4-Chloro-7H-pyrrolo[2,3-d]pyrimidine

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CAS Number

CAS-3680-69-1

End Use API

Baricitinib

About the Company

Jinan Lead Pharmaceutical Technology Co., LTD., located in Jinan, Shandong Province, is mainly engaged in...

Jinan Lead Pharmaceutical Technology Co., LTD., located in Jinan, Shandong Province, is mainly engaged in R&D, production and sales of pharmaceutical raw materials and intermediates. The research and development center is located in Jinan high-tech zone, the production base is located in Ulanqab, Inner Mongolia. The plant has 6 production workshops, covering an area of 1,000,000㎡. At present, we have passed the supplier audit from many domestic pharmaceutical enterprises and world-class pharmaceutical enterprises. Main business: pharmaceutical API and intermediate research and development, production and sales.

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