WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: 125810
CAS#: 1240321-53-2 (HCl)
Description: Valecobulin is an anti-neoplastic beta-tubulin polymerization inhibitor. Tubulin polymerization inhibitors may be useful in inducing cancer cell apoptosis.
Hodoodo Cat#: 125810
Name: Valecobulin HCl
CAS#: 1240321-53-2 (HCl)
Chemical Formula: C26H29ClN6O5S
Exact Mass: 572.16
Molecular Weight: 573.070
Elemental Analysis: C, 54.49; H, 5.10; Cl, 6.19; N, 14.67; O, 13.96; S, 5.59
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Related CAS #: 1240321-53-2 (HCl) 1188371-47-2 (free base)
Synonym: CKD-516; 1240321-53-2; UNII-2J9QE0TM5I; Valecobulin (hydrochloride); Valecobulin hydrochloride; Valecobulin HCl
IUPAC/Chemical Name: N-(4-(3-(1H-1,2,4-triazol-1-yl)-4-(3,4,5-trimethoxybenzoyl)phenyl)thiazol-2-yl)-2-amino-3-methylbutanamide hydrochloride
InChi Key: FIAUXCMEQTWLQZ-UHFFFAOYSA-N
InChi Code: InChI=1S/C26H28N6O5S.ClH/c1-14(2)22(27)25(34)31-26-30-18(11-38-26)15-6-7-17(19(8-15)32-13-28-12-29-32)23(33)16-9-20(35-3)24(37-5)21(10-16)36-4;/h6-14,22H,27H2,1-5H3,(H,30,31,34);1H
SMILES Code: CC(C)C(C(=O)NC1=NC(=CS1)C2=CC(=C(C=C2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC)N4C=NC=N4)N.Cl
Appearance: To be determined
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 -4 C for short term (days to weeks) or -20 C for long term(months to years).
Solubility: To be determined
Shelf Life: >2 years if stored properly
Drug Formulation: To be determined
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
More Info:
Biological target: | |
In vitro activity: | |
In vivo activity: |
The following data is based on the product molecular weight 573.07 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
---|---|---|---|
1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
Formulation protocol: | |
In vitro protocol: | |
In vivo protocol: |
1: Mahale S, Bharate SB, Manda S, Joshi P, Jenkins PR, Vishwakarma RA, Chaudhuri B. Antitumour potential of BPT: a dual inhibitor of cdk4 and tubulin polymerization. Cell Death Dis. 2015 May 7;6:e1743. doi: 10.1038/cddis.2015.96. PubMed PMID: 25950473; PubMed Central PMCID: PMC4669722.
2: Saha A, Mohapatra S, Kurkute P, Jana B, Mondal P, Bhunia D, Ghosh S, Ghosh S. Interaction of Aβ peptide with tubulin causes an inhibition of tubulin polymerization and the apoptotic death of cancer cells. Chem Commun (Camb). 2015 Feb 11;51(12):2249-52. doi: 10.1039/c4cc09390a. PubMed PMID: 25567764.