Shanghai Stepuppharm

Eribulin mesylate intermediate

Chemistry, 1 End Use API, 9 Related Intermediates

Manufacturers/Suppliers

1 Suppliers

1 Suppliers

Also known as: 157322-83-3, Methyl 2-((2r,4as,6s,7r,8s,8as)-7,8-bis((tert-butyldimethylsilyl)oxy)-6-((s,e)-1-((tert-butyldimethylsilyl)oxy)-3-iodoallyl)octahydropyrano[3,2-b]pyran-2-yl)acetate, Methyl 2-[(2s,3r,4s,4as,6r,8as)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(e,1s)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate, Amy12387, Ac-30649, Methyl 2-((2r,4as,6s,7r,8s,8as)-7,8-bis(tert-butyldimethylsilyloxy)-6-((s,e)-1-(tert-butyldimethylsilyloxy)-3-iodoallyl)octahydropyrano[3,2-b]pyran-2-yl)acetate

Molecular Formula

C₃₂H₆₃IO₇Si₃

Molecular Weight

771.0 g/mol

InChI Key

MIEJSEPCTMXSCI-SUCSLEJPSA-N

1 2D Structure

Eribulin mesylate intermediate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 2-[(2S,3R,4S,4aS,6R,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate

2.1.2 InChI

InChI=1S/C32H63IO7Si3/c1-30(2,3)41(11,12)38-24(19-20-33)27-29(40-43(15,16)32(7,8)9)28(39-42(13,14)31(4,5)6)26-23(37-27)18-17-22(36-26)21-25(34)35-10/h19-20,22-24,26-29H,17-18,21H2,1-16H3/b20-19+/t22-,23+,24+,26+,27+,28+,29-/m1/s1

2.1.3 InChI Key

MIEJSEPCTMXSCI-SUCSLEJPSA-N

2.1.4 Canonical SMILES

CC(C)(C)[Si](C)(C)OC1C2C(CCC(O2)CC(=O)OC)OC(C1O[Si](C)(C)C(C)(C)C)C(C=CI)O[Si](C)(C)C(C)(C)C

2.1.5 Isomeric SMILES

CC(C)(C)[Si](C)(C)O[C@H]1[C@@H]2[C@H](CC[C@@H](O2)CC(=O)OC)O[C@H]([C@H]1O[Si](C)(C)C(C)(C)C)[C@H](/C=C/I)O[Si](C)(C)C(C)(C)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 157322-83-3

2. Methyl 2-((2r,4as,6s,7r,8s,8as)-7,8-bis((tert-butyldimethylsilyl)oxy)-6-((s,e)-1-((tert-butyldimethylsilyl)oxy)-3-iodoallyl)octahydropyrano[3,2-b]pyran-2-yl)acetate

3. Methyl 2-[(2s,3r,4s,4as,6r,8as)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(e,1s)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate

4. Amy12387

5. Ac-30649

6. Methyl 2-((2r,4as,6s,7r,8s,8as)-7,8-bis(tert-butyldimethylsilyloxy)-6-((s,e)-1-(tert-butyldimethylsilyloxy)-3-iodoallyl)octahydropyrano[3,2-b]pyran-2-yl)acetate

7. Methyl2-((2r,4as,6s,7r,8s,8as)-7,8-bis((tert-butyldimethylsilyl)oxy)-6-((s,e)-1-((tert-butyldimethylsilyl)oxy)-3-iodoallyl)octahydropyrano[3,2-b]pyran-2-yl)acetate

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₃₂H₆₃IO₇Si₃
Molecular Weight	771.0 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	14
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	72.4
Heavy Atom Count	43
Formal Charge	0
Complexity	966
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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methyl 3-trimethylsilylpent-4-enoate

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CAS Number

185411-12-5

End Use API

Eribulin

About the Company

Shanghai Stepuppharm has a strong technical development troop and most of our technological backbone are ...

Shanghai Stepuppharm has a strong technical development troop and most of our technological backbone are Senior R&D persons and have more than 10 years experience in the Drug R&D field. Our core competitiveness is the Process development and optimization including Route design, process optimization to industrial production,of the API and their intermediate product. According to customer demand, we are able to offer the professional and integrated service of the drug process de

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