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Lisaftoclax

CAT: 0804-HY-129179-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-129179-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Lisaftoclax (compound 6) is a dual Bcl-2 and Bcl-xl inhibitor with anti-tumor activity, extracted from patent WO2018027097A1. Lisaftoclax exhibits IC50 values of 2 nM and 5.9 nM for Bcl-2 and Bcl-xl, respectively[1].
CAS Number
2180923-05-9
Product Name Alternative
APG-2575; Bcl-2/Bcl-xl inhibitor 1
UNSPSC
12352005
Hazard Statement
H302, H315, H319
Target
Bcl-2 Family
Type
Reference compound
Related Pathways
Apoptosis
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/bcl-2-bcl-xl-inhibitor-1.html
Purity
99.28
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(NS(=O)(C1=CC=C(NC[C@@H]2OCCOC2)C([N+]([O-])=O)=C1)=O)C3=CC=C(N4CCN(CC(CC5)=C(C6=CC=C(Cl)C=C6)CC75CCC7)CC4)C=C3OC8=CN=C(NC=C9)C9=C8
Molecular Formula
C45H48ClN7O8S
Molecular Weight
882.42
Precautions
H302, H315, H319
References & Citations
[1]WANG, Chia, et al. N- (PHENYLSULFONYL) BENZAMIDES AND RELATED COMPOUNDS AS BCL-2 INHIBITORS. Patent. WO2018027097A1.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 3
Isoform
Bcl-2; Bcl-xL

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

Alternative Products

CatalogName
BUP06963-01Lisaftoclax
T84730-01(Rac) -Lisaftoclax
C14571-01APG-2575 (lisaftoclax)

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