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APG-2575 (lisaftoclax)

CAT: 1568-C14571-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C14571-01Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2180923-05-9
SKU
C14571-5mg
Target
Bcl-2
Applications
Apoptosis
Smiles
ClC1=CC=C (C=C1) C2=C (CCC3 (CCC3) C2) CN4CCN (CC4) C5=CC (=C (C=C5) C (=O) N[S; v6] (=O) (=O) C6=CC (=C (NCC7COCCO7) C=C6) [N; v5] (=O) =O) OC8=CN=C9[NH]C=CC9=C8
Molecular Formula
C45H48ClN7O8S
Additionnal Information
APG-2575 (lisaftoclax) is a dual Bcl-2 and Bcl-xl inhibitor with IC50 values of 2 nM and 5.9 nM for Bcl-2 and Bcl-xl, respectively.
Storage Conditions
3 years -20°C powder

Chemical Information

Lisaftoclax

Lisaftoclax is a novel, orally active, selective and potent BCL-2 inhibitor

CAS Number2180923-05-9
PubChem CID137355972
IUPAC Name4-[4-[[8-(4-chlorophenyl)spiro[3.5]non-7-en-7-yl]methyl]piperazin-1-yl]-N-[4-[[(2S)-1,4-dioxan-2-yl]methylamino]-3-nitrophenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
Molecular FormulaC45H48ClN7O8S
Molecular Weight882.4
XLogP7.5
Topological Polar Surface Area192
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count12
Heavy Atom Count62
Formal Charge0
Complexity1690
SMILES
C1CC2(C1)CCC(=C(C2)C3=CC=C(C=C3)Cl)CN4CCN(CC4)C5=CC(=C(C=C5)C(=O)NS(=O)(=O)C6=CC(=C(C=C6)NC[C@H]7COCCO7)[N+](=O)[O-])OC8=CN=C9C(=C8)C=CN9
InChI
InChI=1S/C45H48ClN7O8S/c46-33-4-2-30(3-5-33)39-25-45(12-1-13-45)14-10-32(39)28-51-16-18-52(19-17-51)34-6-8-38(42(23-34)61-35-22-31-11-15-47-43(31)49-26-35)44(54)50-62(57,58)37-7-9-40(41(24-37)53(55)56)48-27-36-29-59-20-21-60-36/h2-9,11,15,22-24,26,36,48H,1,10,12-14,16-21,25,27-29H2,(H,47,49)(H,50,54)/t36-/m0/s1
InChIKey
FNBXDBIYRAPDPI-BHVANESWSA-N
Chemical Structure
2D Structure
2D structure of Lisaftoclax
CAS: 2180923-05-9
CID: 137355972
Formula: C45H48ClN7O8S
MW: 882.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight882.4
XLogP37.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count12
Exact Mass881.2973604
Monoisotopic Mass881.2973604
Topological Polar Surface Area192 Ų
Heavy Atom Count62
Formal Charge0
Complexity1690
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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