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TNP-470 10mg

CAT: 0628-A14014-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A14014-10Size:10 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 Number129298-91-5
PubChem CID369976
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 FormulaC19H28ClNO6
Molecular Weight401.9
XLogP2.5
Topological Polar Surface Area89.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity636
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
2D structure of Lodamin
CAS: 129298-91-5
CID: 369976
Formula: C19H28ClNO6
MW: 401.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight401.9
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass401.1605153
Monoisotopic Mass401.1605153
Topological Polar Surface Area89.7 Ų
Heavy Atom Count27
Formal Charge0
Complexity636
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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