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Vindesine

CAT: 0013-GTR19183067Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19183067Size:1 mg
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Description
Vindesine is a microtubule-targeting agent used in cancer chemotherapy and research. Its application in both in vitro and in vivo studies is valuable for investigating oncology, neurobiology, and the mechanisms of chemotherapy-induced peripheral neuropathy.
CAS Number
53643-48-4
Field of Research
Pharmacology & Drug Discovery
Smiles
C (C) [C@@]12[C@]3 ([C@]4 (C=5C (N (C) [C@]4 ([C@] (C (N) =O) (O) [C@@H]1O) [H]) =CC (OC) =C (C5) [C@]6 (C (OC) =O) C7=C (C=8C (N7) =CC=CC8) CC[N@]9C[C@@] (C6) (C[C@] (CC) (O) C9) [H]) CCN3CC=C2) [H]
Molecular Formula
C43H55N5O7
Molecular Weight
753.93
Storage Conditions
-20°C
Notes
For research use only.

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 Number53643-48-4
PubChem CID40839
IUPAC Namemethyl (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 FormulaC43H55N5O7
Molecular Weight753.9
XLogP2.7
Topological Polar Surface Area165
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count55
Formal Charge0
Complexity1570
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
2D structure of Vindesine
CAS: 53643-48-4
CID: 40839
Formula: C43H55N5O7
MW: 753.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight753.9
XLogP32.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass753.41014911
Monoisotopic Mass753.41014911
Topological Polar Surface Area165 Ų
Heavy Atom Count55
Formal Charge0
Complexity1570
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-16514Vindesine
MBS3614220-01Vindesine sulfate
HY-129071-01Vindesine (sulfate)
291927-01Vindesine sulfate salt
AR-V06714-01Vindesine Impurity 1
AR-V01463-01Vindesine EP Impurity A
HY-129071RVindesine (sulfate) (Standard)

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