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BM-1244

CAT: 0931-T36884-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T36884-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1619923-32-8
Target
Others, Apoptosis, PARP, Bcl-2 Family, Caspase
Related Pathways
Others, Proteases/Proteasome, DNA Damage/DNA Repair, Apoptosis, Chromatin/Epigenetic
Bioactivity
BM-1244 is a potent Bcl-xL/Bcl-2 inhibitor with Kis of 134 and 450 nM for Bcl- xL and Bcl-2, respectively. BM-1244 inhibits senescent fibroblasts (SnCs) with an EC50 of 5 nM[1].
Smiles
CC(C)n1c(C)c(c(c1-c1ccc(Cl)cc1)-c1cc(F)cc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN3CCC(CC3)C(O)=O)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1)S(C)(=O)=O
Molecular Formula
C54H59ClF4N6O8S4
Molecular Weight
1159.78
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperidine-4-carboxylic acid
CAS Number1619923-32-8
PubChem CID90279478
IUPAC Name1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperidine-4-carboxylic acid
Molecular FormulaC54H59ClF4N6O8S4
Molecular Weight1159.8
XLogP8.6
Topological Polar Surface Area229
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count18
Rotatable Bond Count19
Heavy Atom Count77
Formal Charge0
Complexity2240
SMILES
CC1=C(C(=C(N1C(C)C)C2=CC=C(C=C2)Cl)C3=CC(=CC(=C3)F)N4CCN(CC4)C5=CC=C(C=C5)NS(=O)(=O)C6=CC(=C(C=C6)N[C@H](CCN7CCC(CC7)C(=O)O)CSC8=CC=CC=C8)S(=O)(=O)C(F)(F)F)S(=O)(=O)C
InChI
InChI=1S/C54H59ClF4N6O8S4/c1-35(2)65-36(3)52(75(4,68)69)50(51(65)37-10-12-40(55)13-11-37)39-30-41(56)32-45(31-39)64-28-26-63(27-29-64)44-16-14-42(15-17-44)61-77(72,73)47-18-19-48(49(33-47)76(70,71)54(57,58)59)60-43(34-74-46-8-6-5-7-9-46)22-25-62-23-20-38(21-24-62)53(66)67/h5-19,30-33,35,38,43,60-61H,20-29,34H2,1-4H3,(H,66,67)/t43-/m1/s1
InChIKey
OGHPBBHWAPIYHS-VZUYHUTRSA-N
Chemical Structure
2D Structure
2D structure of 1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperidine-4-carboxylic acid
CAS: 1619923-32-8
CID: 90279478
Formula: C54H59ClF4N6O8S4
MW: 1159.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1159.8
XLogP38.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count18
Rotatable Bond Count19
Exact Mass1158.2901879
Monoisotopic Mass1158.2901879
Topological Polar Surface Area229 Ų
Heavy Atom Count77
Formal Charge0
Complexity2240
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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