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Chemical structure of MB710

GC62629

MB710

Also known as 2-(diethylamino)-5-hydroxy-6-iodo-7-pyrrol-1-yl-1,3-benzothiazole-4-carboxylic acid

MB710, an aminobenzothiazole derivative, is a stabilizer of oncogenic p53 mutation Y220C· MB710 binds tightly to the Y220C pocket and stabilizes p53-Y220C, with a Kd of 4·1?μM· MB710 shows anticancer activity in p53-Y220C cell lines

ChemicalCAS2230044-57-0MW457.29FormulaC16H16IN3O3S
CAS number
2230044-57-0
Molecular weight
457.29
Formula
C16H16IN3O3S
InChIKey
SEBJATZOIHUGAU-UHFFFAOYSA-N
Catalogue number
GC62629
Brand
GLPBIO
Computed properties PubChem CID 133082032 · XLogP 4.3 · TPSA 107 Ų · H-bond donors 2
XLogP
4.3
TPSA
107 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
24

SMILES CCN(CC)C1=NC2=C(C(=C(C(=C2S1)N3C=CC=C3)I)O)C(=O)O

Computed descriptors from PubChem (CID 133082032), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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