NeocarzinostatinchromophoreA
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NeocarzinostatinchromophoreA
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CAS No:
79633-18-4
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Formula:
C35H33NO12
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Chemical Name:
NeocarzinostatinchromophoreA
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Synonyms:
NEOCARZINOSTATIN;NSC-69856;ZINOSTATIN;HOLONEOCARZINOSTATIN;Neocarzinostatin chromophore A;1-Naphthalenecarboxylic acid, 2-hydroxy-7-methoxy-5-methyl-, (1aS,5R,6R,6aE,9aR)-2,3,8,9-tetradehydro-6-[[2,6-dideoxy-2-(methylamino)-α-D-galactopyranosyl]oxy]-1a,5,6,9a-tetrahydro-1a-[(4R)-2-oxo-1,3-dioxolan-4-yl]cyclopenta[5,6]cyclonon[1,2-b]oxiren-5-yl ester
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CAS No:
Description
Neocarzinostatin chromophore is a naphthoate ester obtained by formal condensation of the carboxy group of 2-hydroxy-7-methoxy-5-methyl-1-naphthoic acid with the 5-hydroxy group of (1aS,5R,6R,6aE,9aR)-5-hydroxy-1a-[(4R)-2-oxo-1,3-dioxolan-4-yl]-2,3,8,9-tetradehydro-1a,5,6,9a-tetrahydrocyclopenta[5,6]cyclonona[1,2-b]oxiren-6-yl 2,6-dideoxy-2-(methylamino)-alpha-D-galactopyranoside. The chromophoric part of neocarzinostatin, it is tightly and non-covelently bound to a 113-membered apoprotein, which serves to protect it and release it to the target DNA. It has a role as an antineoplastic agent. It is a monosaccharide derivative, a cyclopentacyclononaoxirene, a D-galactosaminide, a dioxolane and a naphthoate ester.
Drug Information
Chemical substances, produced by microorganisms, inhibiting or preventing the proliferation of neoplasms. (See all compounds classified as Antibiotics, Antineoplastic.)|Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)
NCS-Chrom
Computed Properties
Molecular Weight:659.6
XLogP3:2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:8
Exact Mass:659.20027549
Monoisotopic Mass:659.20027549
Topological Polar Surface Area:175
Heavy Atom Count:48
Complexity:1520
Defined Atom Stereocenter Count:10
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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