CAS 289042-12-2

Chemistry, 1 End Use API, 4 Related Intermediates

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2 Intermediates

2 Intermediates

Also known as: 289042-12-2, Tert-butyl 2-((4r,6s)-6-((e)-2-(4-(4-fluorophenyl)-6-isopropyl-2-(n-methylmethylsulfonamido)pyrimidin-5-yl)vinyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate, Cid 9916218, 10s8dbz6mg, Tert-butyl 2-[(4r,6s)-6-[(e)-2-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate, 1,1-dimethylethyl [(4r,6s)-6-[(e)-2-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate

Molecular Formula

C₂₉H₄₀FN₃O₆S

Molecular Weight

577.7 g/mol

InChI Key

WIFPCEOJTKZGSA-UQECUQMJSA-N

FDA UNII

10S8DBZ6MG

1 2D Structure

CAS 289042-12-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl 2-[(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate

2.1.2 InChI

InChI=1S/C29H40FN3O6S/c1-18(2)25-23(15-14-21-16-22(38-29(6,7)37-21)17-24(34)39-28(3,4)5)26(19-10-12-20(30)13-11-19)32-27(31-25)33(8)40(9,35)36/h10-15,18,21-22H,16-17H2,1-9H3/b15-14+/t21-,22-/m1/s1

2.1.3 InChI Key

WIFPCEOJTKZGSA-UQECUQMJSA-N

2.1.4 Canonical SMILES

CC(C)C1=NC(=NC(=C1C=CC2CC(OC(O2)(C)C)CC(=O)OC(C)(C)C)C3=CC=C(C=C3)F)N(C)S(=O)(=O)C

2.1.5 Isomeric SMILES

CC(C)C1=NC(=NC(=C1/C=C/[C@@H]2C[C@@H](OC(O2)(C)C)CC(=O)OC(C)(C)C)C3=CC=C(C=C3)F)N(C)S(=O)(=O)C

2.2 Other Identifiers

2.2.1 UNII

10S8DBZ6MG

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 289042-12-2

2. Tert-butyl 2-((4r,6s)-6-((e)-2-(4-(4-fluorophenyl)-6-isopropyl-2-(n-methylmethylsulfonamido)pyrimidin-5-yl)vinyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate

3. Cid 9916218

4. 10s8dbz6mg

5. Tert-butyl 2-[(4r,6s)-6-[(e)-2-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate

6. 1,1-dimethylethyl [(4r,6s)-6-[(e)-2-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate

7. 1,3-dioxane-4-acetic Acid, 6-((1e)-2-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(methyl(methylsulfonyl)amino)-5-pyrimidinyl)ethenyl)-2,2-dimethyl-, 1,1-dimethylethyl Ester, (4r,6s)

8. Rosuvastatin Acetonide

9. Unii-10s8dbz6mg

10. 1,3-dioxane-4-acetic Acid, 6-[(1e)-2-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]ethenyl]-2,2-dimethyl-, 1,1-dimethylethyl Ester, (4r,6s)-

11. Schembl1978779

12. 4s,6r Acetonide T-butyl Ester

13. Mfcd08458343

14. Zinc67665361

15. Rosuvastatin Calcium Impurity F [ep]

16. Akos024463022

17. Rosuvastatin Related Compound C [usp]

18. Ac-3414

19. Ds-7417

20. ((4r,6s)-6-{(e)-2-[4-(4-fluoro-phenyl)-6-isopropyl-2-(methanesulfonyl-methyl-amino)-pyrimidin-5-yl]-vinyl}-2,2-dimethyl-[1,3]dioxan-4-yl)-acetic Acid Tert-butyl Ester

21. (4r,6s)-6-[(1e)-2-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetic Acid 1,1-dimethylethyl Ester

22. Cs-0154317

23. J3.653.603i

24. J3.653.764g

25. F19330

26. Rosuvastatin Related Compound C [usp-rs]

27. 042b122

28. Q-201797

29. Rosuvastatin Calcium Impurity F [ep Impurity]

30. Rosuvastatin Related Compound C [usp Impurity]

31. (3r,5s,e)-7-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidine-5-yl]-3,5-[(propane-2,2-diyl)bisoxy]-6-heptenoic Acid Tert-butyl Ester

32. (4r,6s)-6-[(1e)-2-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidiny

33. (4r,6s)-6-[(1e)-2-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetic Acid

34. [2,2-dimethyl-6beta-[2-[2-[methyl(methylsulfonyl)amino]-4-(4-fluorophenyl)-6-isopropylpyrimidine-5-yl]vinyl]-1,3-dioxane-4beta-yl]acetic Acid Tert-butyl Ester

35. T-butyl 6-[(1e)-2-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetate

36. Tert-butyl 2-((4r,6s)-6-((e)-2-(4-(4-fluorophenyl)-6-isopropyl-2-(n-methylmethanesulfonamido)pyrimidin-5-yl)vinyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate

37. Tert-butyl 2-((4s,6r)-6-((e)-2-(4-(4-fluorophenyl)-6-isopropyl-2-(n-methylmethylsulfonamido)pyrimidin-5-yl)vinyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate

38. Tert-butyl-(+)7-[4-(4-fluorophenyl)-6-isopropyl-2-(n-methylsulfonylamino)pyrimidine-5-yl]-(3r,5s)-dioxane-(e)-heptenate

39. Tert-butyl[(4r,6s)-6-{(e)-2-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-y1)pyrimidin-5-yl]ethenyl}-2,2-dimethyl-1,3-dioxan-4-yl]acetate

40. Tert-butyl2-((4r,6s)-6-((e)-2-(4-(4-fluorophenyl)-6-isopropyl-2-(n-methylmethylsulfonamido)pyrimidin-5-yl)vinyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₂₉H₄₀FN₃O₆S
Molecular Weight	577.7 g/mol
XLogP3	4.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	10
Exact Mass	577.26218534 g/mol
Monoisotopic Mass	577.26218534 g/mol
Topological Polar Surface Area	116 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	985
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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147118-35-2

End Use API

Rosuvastatin Calcium

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Porton Pharma Solutions Ltd. was founded in 2005, & the company's stock was successfully listed in Shenzh...

Porton Pharma Solutions Ltd. was founded in 2005, & the company's stock was successfully listed in Shenzhen Stock Exchange in 2014. Our R&D, manufacturing & operation facilities are located in China, Slovenia, the US, Belgium, Switzerland, Denmark, with more than 6000 employees worldwide. Porton leads the way with its excellent CDMO services, but also supplies APIs & intermediates for the treatment of critical diseases such as HIV/AIDS, diabetes, cancer, & influenza. Our Process Technology Centers & WHO/USFDA/EMA/PDMA/NMPA-inspected Facilities feature state-of-the-art equipment, highly flexible cGMP-compliant production assets.

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End Use API

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CTX is one of the youngest and fastest-growing Indian API and Intermediate manufacturing companies doing ...

CTX is one of the youngest and fastest-growing Indian API and Intermediate manufacturing companies doing business in over 70 countries. In these five years, all my thoughts and actions have been to enhance the life of my organization by serving the pharmaceutical industry with complete dedication. CTX is accredited with US FDA, EU GMP, PMDA Japan and COFEPRIS Mexico cGMP. The ultimate business strategy of CTX Life Sciences is “ to be a partner in the global pharmaceutical and chemical industries and continue to be a reliable and consistent supplier of APIs and Intermediates.

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Zhejiang Apeloa Medical Technology Co., Ltd.(Zhejiang Apeloa Jiayuan Pharmaceutical Co., Ltd.) is a medic...

Zhejiang Apeloa Medical Technology Co., Ltd.(Zhejiang Apeloa Jiayuan Pharmaceutical Co., Ltd.) is a medicinal industry enterprise integrating R&D, manufacturing，marketing and contract manufacture of Intermediates, API and Amino acid. She owns the GMP workshops and USA FDA site inspected the API division at May, 2007, intermediates division at Jan., 2009.R&D center is a State Certificate Enterprise and Postdoctoral Workstation. She has acquired USA FDA and SFDA approval and got GMP and certificates.

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