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S55746

CAT: 1568-C13647-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C13647-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1448584-12-0
Synonyms
S 055746, BCL201
SKU
C13647-5mg
Target
Bcl-2
Applications
Apoptosis
Smiles
C1CCN2C (=C (C=C2C3=CC4=C (C=C3C (=O) N5CC6=CC=CC=C6CC5CN7CCOCC7) OCO4) C (=O) N (C8=CC=CC=C8) C9=CC=C (C=C9) O) C1
Molecular Formula
C43H42N4O6
Additionnal Information
S55746 (S 055746, BCL201) is a novel, orally active BCL-2 specific inhibitor (Ki = 1.3 nM) with poor affinity for BCL-XL and no significant binding to MCL-1, BFL-1 (BCL2A1/A1) . The selectivity of S55746 for BCL-2 versus BCL-XL ranges from ~70 to 400 folds.
Storage Conditions
3 years -20°C powder

Chemical Information

S-55746

Bcl-2 Inhibitor BCL201 is a selective inhibitor of the anti-apoptotic protein B-cell lymphoma 2 (Bcl-2), with potential pro-apoptotic and antineoplastic activities. Upon administration, Bcl-2 inhibitor BCL201 binds to and inhibits the activity of Bcl-2. This restores apoptotic processes in tumor cells. Bcl-2 protein is overexpressed in many cancers and plays an important role in the negative regulation of apoptosis; its expression is associated with increased drug resistance and tumor cell survival.

CAS Number1448584-12-0
PubChem CID71654876
IUPAC NameN-(4-hydroxyphenyl)-3-[6-[(3S)-3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-1,3-benzodioxol-5-yl]-N-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide
Molecular FormulaC43H42N4O6
Molecular Weight710.8
XLogP5.8
Topological Polar Surface Area96.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count53
Formal Charge0
Complexity1250
SMILES
C1CCN2C(=C(C=C2C3=CC4=C(C=C3C(=O)N5CC6=CC=CC=C6C[C@H]5CN7CCOCC7)OCO4)C(=O)N(C8=CC=CC=C8)C9=CC=C(C=C9)O)C1
InChI
InChI=1S/C43H42N4O6/c48-34-15-13-32(14-16-34)47(31-10-2-1-3-11-31)43(50)37-23-39(45-17-7-6-12-38(37)45)35-24-40-41(53-28-52-40)25-36(35)42(49)46-26-30-9-5-4-8-29(30)22-33(46)27-44-18-20-51-21-19-44/h1-5,8-11,13-16,23-25,33,48H,6-7,12,17-22,26-28H2/t33-/m0/s1
InChIKey
VYXJULKGMXJVGI-XIFFEERXSA-N
Chemical Structure
2D Structure
2D structure of S-55746
CAS: 1448584-12-0
CID: 71654876
Formula: C43H42N4O6
MW: 710.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight710.8
XLogP35.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass710.31043507
Monoisotopic Mass710.31043507
Topological Polar Surface Area96.7 Ų
Heavy Atom Count53
Formal Charge0
Complexity1250
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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