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vinblastine

别名	29060-LE, Velban®, vincaleucoblastin, vincaleukoblastine, Velbe®
Compound Class	Synthetic organic
变动原因	A pan tubulin inhibitor. A chemical analogue of (from Catharanthus roseus, also known as Vinca rosea). There is some ambiguity surrounding the exact stereochemistry of vinblastine. The chirality shown here corresponds to the PubChem entry linked to in the table above. However, bioactivity data for the compound is also listed against CID 241903, and some of the links in the table above refer to this chiral specification or others. Marketed formulations contain vinblastine sulfate (PubChem CID 5388983).
Related Product	长春花碱

Summary

是否批准为药物？	(FDA (1965))
IUPAC Name	4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
别名	29060-LE, Velban®, vincaleucoblastin, vincaleukoblastine, Velbe®

数据库链接

DrugBank Ligand	DB00570
PubChem CID	13342
CAS Registry No.	865-21-4
ChEMBL Ligand	CHEMBL159
Wikipedia	Vinblastine
ChEBI	CHEBI:27375
RCSB PDB Ligand	VLB
PEP	vinblastine
DrugCentral Ligand	2823

生物活性

生物活性评价	The sulfonamide class of antibacterial compounds are primarily bacteriostatic agents and have a broad spectrum of activity against both Gram-positive and Gram-negative species of bacteria (reviewed in ).
关联靶标	tubulin beta class I

临床资料

Summary of Clinical Use	Used to treat certain kinds of cancer, including Hodgkin's lymphoma, non-small cell lung cancer, breast cancer, head and neck cancer, and testicular cancer. It is also used to treat Langerhans cell histiocytosis.
作用机制与药效学效应	Causes cell cycle arrest by inhibiting microtubule assembly.

结构

Canonical SMILES	COc1cc2N(C)C3C4(c2cc1C1(CC2CN(CCc5c1[nH]c1c5cccc1)CC(C2)(O)CC)C(=O)OC)CCN1C4C(C(C3(O)C(=O)OC)OC(=O)C)(CC)C=CC1
Isomeric SMILES	COc1cc2N(C)[C@@H]3[C@@]4(c2cc1[C@]1(C[C@H]2CN(CCc5c1[nH]c1c5cccc1)C[C@](C2)(O)CC)C(=O)OC)CCN1[C@H]4[C@@]([C@H]([C@]3(O)C(=O)OC)OC(=O)C)(CC)C=CC1
InChI	InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1
InChI key	JXLYSJRDGCGARV-CFWMRBGOSA-N

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