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BP-1-108

CAT: 0804-HY-125151Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-125151Size:1 Each
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Description
BP-1-108 is a selective inhibitor of STAT5 (Ki=8.3 μM) with anticancer activity. BP-1-108 induces apoptosis of leukemia cells by inhibiting the phosphorylation of STAT5. BP-1-108 can be used in the study of acute myeloid leukemia and prostate cancer[1].
CAS Number
1334492-85-1
UNSPSC
12352005
Target
Apoptosis; STAT
Type
Reference compound
Related Pathways
Apoptosis; JAK/STAT Signaling; Stem Cell/Wnt
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/bp-1-108.html
Smiles
O=C(O)C1=CC=C(N(CC2=CC=C(C3CCCCC3)C=C2)C(CN(C)S(=O)(C4=C(C)C=C(C)C=C4C)=O)=O)C=C1O
Molecular Formula
C32H38N2O6S
Molecular Weight
578.72
References & Citations
[1]Page, et al. "Small molecule STAT5-SH2 domain inhibitors exhibit potent antileukemia activity." Journal of medicinal chemistry 55.3 (2012) : 1047-1055.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
STAT5

Chemical Information

4-(N-(4-Cyclohexylbenzyl)-2-(N,2,4,6 tetramethylphenylsulfonamido)acetamido)-2-hydroxybenzoic acid
CAS Number1334492-85-1
PubChem CID56663448
IUPAC Name4-[(4-cyclohexylphenyl)methyl-[2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]amino]-2-hydroxybenzoic acid
Molecular FormulaC32H38N2O6S
Molecular Weight578.7
XLogP7
Topological Polar Surface Area124
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count41
Formal Charge0
Complexity973
SMILES
CC1=CC(=C(C(=C1)C)S(=O)(=O)N(C)CC(=O)N(CC2=CC=C(C=C2)C3CCCCC3)C4=CC(=C(C=C4)C(=O)O)O)C
InChI
InChI=1S/C32H38N2O6S/c1-21-16-22(2)31(23(3)17-21)41(39,40)33(4)20-30(36)34(27-14-15-28(32(37)38)29(35)18-27)19-24-10-12-26(13-11-24)25-8-6-5-7-9-25/h10-18,25,35H,5-9,19-20H2,1-4H3,(H,37,38)
InChIKey
XRIZHIWNZHWNQG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(N-(4-Cyclohexylbenzyl)-2-(N,2,4,6 tetramethylphenylsulfonamido)acetamido)-2-hydroxybenzoic acid
CAS: 1334492-85-1
CID: 56663448
Formula: C32H38N2O6S
MW: 578.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight578.7
XLogP37
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass578.24505811
Monoisotopic Mass578.24505811
Topological Polar Surface Area124 Ų
Heavy Atom Count41
Formal Charge0
Complexity973
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
T70950-01BP-1-108
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456822-01N- (2-Aminoethyl) Lenalidomide BP-1-108 Amide
TRC-A628165-200MGN-(3-Aminopropanoyl) Lenalidomide BP-1-108 Amide
456823-01N- (2-Aminoethyl) Pomalidomide BP-1-108 Amide
TRC-A609225-200MGN-(2-Aminoethyl) Pomalidomide BP-1-108 Amide
TRC-A618815-200MGN-(6-Aminohexanoyl) Pomalidomide BP-1-108 Amide
457331-01N- (6-Aminohexanoyl) Lenalidomide BP-1-108 Amide

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