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BTSA1.2

CAT: 0013-GTR19154555-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19154555-03Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BTSA1.2 is a rationalized BTSA1 analog with improved binding to BAX, cellular cytotoxicity, and better toleratence in vivo. Combination of BTSA1.2 with Navitoclax demonstrates synergistic efficacy in apoptosis-resistant cancer cells, xenografts, and patient-derived tumors while sparing healthy tissues.
CAS Number
2254256-66-9
Purity
>98%
Smiles
O=C1N (N=C (C=2C=CC=CC2) C1N=NC3=NC (=C (S3) C) C) C4=NC (=CS4) C=5C=CC=CC5
Molecular Formula
C23H18N6OS2
Molecular Weight
458.56
Notes
For research use only.

Chemical Information

4-[(4,5-dimethyl-1,3-thiazol-2-yl)diazenyl]-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-4H-pyrazol-3-one
CAS Number2254256-66-9
PubChem CID162639985
IUPAC Name4-[(4,5-dimethyl-1,3-thiazol-2-yl)diazenyl]-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-4H-pyrazol-3-one
Molecular FormulaC23H18N6OS2
Molecular Weight458.6
XLogP6.2
Topological Polar Surface Area140
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity736
SMILES
CC1=C(SC(=N1)N=NC2C(=NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C5=CC=CC=C5)C
InChI
InChI=1S/C23H18N6OS2/c1-14-15(2)32-22(24-14)27-26-20-19(17-11-7-4-8-12-17)28-29(21(20)30)23-25-18(13-31-23)16-9-5-3-6-10-16/h3-13,20H,1-2H3
InChIKey
WTBJQZCUZRRFDE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[(4,5-dimethyl-1,3-thiazol-2-yl)diazenyl]-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-4H-pyrazol-3-one
CAS: 2254256-66-9
CID: 162639985
Formula: C23H18N6OS2
MW: 458.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight458.6
XLogP36.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass458.09835157
Monoisotopic Mass458.09835157
Topological Polar Surface Area140 Ų
Heavy Atom Count32
Formal Charge0
Complexity736
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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