Vindesine

CAT: 0804-HY-16514Size: 1 EachDry Ice: NoHazardous: No

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Description

Vindesine is a semisynthetic derivative of vinblastine. Vindesine is a potent anticancer agent. Vindesine can be used for the research of melanoma and lung cancers[1].

CAS Number

53643-48-4

UNSPSC

12352005

Hazard Statement

H315-H319-H320

Target

Drug Derivative

Type

Reference compound

Related Pathways

Others

Applications

Cancer-programmed cell death

Field of Research

Cancer

Assay Protocol

https://www.medchemexpress.com/vindesine.html

Solubility

10 mM in DMSO

Smiles

CC[C@]1([C@H]2O)[C@@]3([H])[C@@]([C@](N4C)([H])[C@@]2(O)C(N)=O)(CCN3CC=C1)C(C4=C5)=CC([C@](C6=C7C8=CC=CC=C8N6)(C[C@](C[C@@]9(O)CC)([H])C[N@@](C9)CC7)C(OC)=O)=C5OC

Molecular Formula

C43H55N5O7

Molecular Weight

753.93

Precautions

P264-P280-P302+P352-P305+P351+P338-P362

References & Citations

[1]Chabner BA, et al. Vinca alkaloids. Cancer Chemother Biol Response Modif. 1991;12:67-73.

Shipping Conditions

Room temperature

Scientific Category

Reference compound1

Clinical Information

Launched

Chemical Information

Vindesine

Vindesine is a primary carboxamide, a methyl ester, a tertiary alcohol, a vinca alkaloid, an organic heterotetracyclic compound, an organic heteropentacyclic compound and a tertiary amino compound. It has a role as an antineoplastic agent. It is functionally related to a vincaleukoblastine.

CAS Number	53643-48-4
PubChem CID	40839
IUPAC Name	methyl (13S,15S,17S)-13-[(1R,9R,10S,11R,12R,19R)-10-carbamoyl-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate
Molecular Formula	C43H55N5O7
Molecular Weight	753.9
XLogP	2.7
Topological Polar Surface Area	165
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	7
Heavy Atom Count	55
Formal Charge	0
Complexity	1570

SMILES

CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)N)O)O)CC)OC)C(=O)OC)O

InChI

InChI=1S/C43H55N5O7/c1-6-39(52)21-25-22-42(38(51)55-5,33-27(13-17-47(23-25)24-39)26-11-8-9-12-30(26)45-33)29-19-28-31(20-32(29)54-4)46(3)35-41(28)15-18-48-16-10-14-40(7-2,34(41)48)36(49)43(35,53)37(44)50/h8-12,14,19-20,25,34-36,45,49,52-53H,6-7,13,15-18,21-24H2,1-5H3,(H2,44,50)/t25-,34+,35-,36-,39+,40-,41-,42+,43+/m1/s1

InChIKey

HHJUWIANJFBDHT-KOTLKJBCSA-N

Chemical Structure

2D Structure

CAS: 53643-48-4

CID: 40839

Formula: C43H55N5O7

MW: 753.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	753.9
XLogP3	2.7
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	7
Exact Mass	753.41014911
Monoisotopic Mass	753.41014911
Topological Polar Surface Area	165 Å²
Heavy Atom Count	55
Formal Charge	0
Complexity	1570
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
HY-N0687-01	Vindoline
HY-N0687R	Vindoline (Standard)
HY-D2921	BODIPY-FL-Vindoline

Alternative Products

Catalog	Name
TN2299	Vindesine
MBS3614220-01	Vindesine sulfate
291927-01	Vindesine sulfate salt
AR-V06714-01	Vindesine Impurity 1
AR-V01463-01	Vindesine EP Impurity A

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