TNP-470 25mg

CAT: 0628-A14014-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0628-A14014-25Size:25 mg

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CAS Number

129298-91-5

Chemical Information

Lodamin

O-(chloroacetylcarbamoyl)fumagillol is a carbamate ester that is fumagillol in which the hydroxy group has been converted to the corresponding N-(chloroacetyl)carbamate derivative. It has a role as an antineoplastic agent, an angiogenesis inhibitor, an EC 1.5.1.3 (dihydrofolate reductase) inhibitor, a methionine aminopeptidase 2 inhibitor and a retinoic acid receptor alpha antagonist. It is a spiro-epoxide, a carbamate ester, a sesquiterpenoid, an organochlorine compound and a semisynthetic derivative. It is functionally related to a fumagillol.

CAS Number	129298-91-5
PubChem CID	369976
IUPAC Name	[(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] N-(2-chloroacetyl)carbamate
Molecular Formula	C19H28ClNO6
Molecular Weight	401.9
XLogP	2.5
Topological Polar Surface Area	89.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	27
Formal Charge	0
Complexity	636

SMILES

CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)NC(=O)CCl)OC)C

InChI

InChI=1S/C19H28ClNO6/c1-11(2)5-6-13-18(3,27-13)16-15(24-4)12(7-8-19(16)10-25-19)26-17(23)21-14(22)9-20/h5,12-13,15-16H,6-10H2,1-4H3,(H,21,22,23)/t12-,13-,15-,16-,18+,19+/m1/s1

InChIKey

MSHZHSPISPJWHW-PVDLLORBSA-N

Chemical Structure

2D Structure

CAS: 129298-91-5

CID: 369976

Formula: C19H28ClNO6

MW: 401.9

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	401.9
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	401.1605153
Monoisotopic Mass	401.1605153
Topological Polar Surface Area	89.7 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	636
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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