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BM-1244

CAT: 0013-GTR19191059-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19191059-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BM-1244 is a potent small molecule inhibitor of the anti-apoptotic proteins Bcl-xL (Ki = 134 nM) and Bcl-2 (Ki = 450 nM) . It effectively eliminates senescent cells in vitro, demonstrating an EC50 of 5 nM in senescent fibroblast assays, making it a useful research tool for studying apoptosis and senescence.
CAS Number
1619923-32-8
Field of Research
Cell Biology, Epigenetics & Chromatin, Molecular Biology, Protein Biochemistry
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
Storage Conditions
-20°C
Notes
For research use only.

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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