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Sonrotoclax

CAT: 1568-C01711-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C01711-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2383086-06-2
Synonyms
BGB-11417
SKU
C01711-1mg
Target
Bcl-2
Applications
Apoptosis
Additionnal Information
Sonrotoclax (BGB-11417) is a highly potent, orally active and selective inhibitor of Bcl2. Sonrotoclax demonstrates increased potency along with in vitro and in vivo inhibitory activity against both WT Bcl-2 and the G101V mutant. Bcl-xL Sonrotoclax has effective cell killing effect against a variety of lymphoma and leukemia cell lines.

Chemical Information

Sonrotoclax

Sonrotoclax is an orally bioavailable inhibitor of the anti-apoptotic protein B-cell lymphoma 2 (Bcl-2), with potential pro-apoptotic and antineoplastic activities. Upon oral administration, sonrotoclax specifically binds to and inhibits the activity of the pro-survival protein Bcl-2. This restores apoptotic processes and inhibits cell proliferation in Bcl-2-overexpressing tumor cells. Bcl-2, a protein that belongs to the Bcl-2 family, is overexpressed in various tumor cell types and plays an important role in the negative regulation of apoptosis. Its tumor expression is associated with increased drug resistance and cancer cell survival.

CAS Number2383086-06-2
PubChem CID149553242
IUPAC NameN-[4-[(4-hydroxy-4-methylcyclohexyl)methylamino]-3-nitrophenyl]sulfonyl-4-[2-[(2S)-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
Molecular FormulaC49H59N7O7S
Molecular Weight890.1
XLogP9.1
Topological Polar Surface Area194
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count12
Heavy Atom Count64
Formal Charge0
Complexity1700
SMILES
CC(C)C1=CC=CC=C1[C@@H]2CCCN2C3CC4(C3)CCN(CC4)C5=CC(=C(C=C5)C(=O)NS(=O)(=O)C6=CC(=C(C=C6)NCC7CCC(CC7)(C)O)[N+](=O)[O-])OC8=CN=C9C(=C8)C=CN9
InChI
InChI=1S/C49H59N7O7S/c1-32(2)39-7-4-5-8-40(39)43-9-6-22-55(43)36-28-49(29-36)19-23-54(24-20-49)35-10-12-41(45(26-35)63-37-25-34-16-21-50-46(34)52-31-37)47(57)53-64(61,62)38-11-13-42(44(27-38)56(59)60)51-30-33-14-17-48(3,58)18-15-33/h4-5,7-8,10-13,16,21,25-27,31-33,36,43,51,58H,6,9,14-15,17-20,22-24,28-30H2,1-3H3,(H,50,52)(H,53,57)/t33?,43-,48?/m0/s1
InChIKey
ZQTKOYMWCCSKON-HCWAPQBJSA-N
Chemical Structure
2D Structure
2D structure of Sonrotoclax
CAS: 2383086-06-2
CID: 149553242
Formula: C49H59N7O7S
MW: 890.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight890.1
XLogP39.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count12
Exact Mass889.41966842
Monoisotopic Mass889.41966842
Topological Polar Surface Area194 Ų
Heavy Atom Count64
Formal Charge0
Complexity1700
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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