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A-1155463

CAT: 0013-GTR19164208-02Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19164208-02Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A-1155463 is a highly potent and selective BCL-XL inhibitor (Ki=10 pM) ; shows >1000-fold weaker binding to BCL-2, BCL-W (Ki =19 nM) and MCL-1 (Ki >440 nM) ; inhibits H146 SCLC xenograft tumor growth in vivo. (In Vitro) :A-1155463 shows picomolar binding affinity to BCL-XL (Ki<0.01 nM), and >1000-fold weaker binding to BCL-2 (Ki= 80 nM) and related proteins BCL-W (Ki= 19 nM) and MCL-1 (Ki> 440 nM) . A-1155463 demonstrates strong growth inhibition of over half of the colorectal cell lines as defined by EC50 values ≤0.5 μM in the presence of 10 % FBS. (In Vivo) :A-1155463 caused a mechanism-based and reversible thrombocytopenia in mice and inhibited H146 small cell lung cancer xenograft tumor growth in vivo following multiple doses.
CAS Number
1235034-55-5
Product Name Alternative
A1155463 | A 1155463
Purity
>98% (HPLC)
Solubility
DMSO: ≥ 31 mg/mL
Smiles
O=C (C1=C (CCCOC2=CC=C (C#CCN (C) C) C=C2F) SC (N3CC4=C (C=CC=C4C (NC5=NC6=CC=CC=C6S5) =O) CC3) =N1) O
Molecular Formula
C35H32FN5O4S2
Molecular Weight
669.7881
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
4-Thiazolecarboxylic acid, 2-[8-[ (2-benzothiazolylamino) carbonyl]-3,4-dihydro-2 (1H) -isoquinolinyl]-5-[3-[4-[3- (dimethylamino) -1-propyn-1-yl]-2-fluorophenoxy]propyl]-

Chemical Information

A-1155463

a Bcl-X(L) inhibitor; structure in first source

CAS Number1235034-55-5
PubChem CID59447577
IUPAC Name2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[4-[3-(dimethylamino)prop-1-ynyl]-2-fluorophenoxy]propyl]-1,3-thiazole-4-carboxylic acid
Molecular FormulaC35H32FN5O4S2
Molecular Weight669.8
XLogP4.8
Topological Polar Surface Area164
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Heavy Atom Count47
Formal Charge0
Complexity1150
SMILES
CN(C)CC#CC1=CC(=C(C=C1)OCCCC2=C(N=C(S2)N3CCC4=C(C3)C(=CC=C4)C(=O)NC5=NC6=CC=CC=C6S5)C(=O)O)F
InChI
InChI=1S/C35H32FN5O4S2/c1-40(2)17-6-8-22-14-15-28(26(36)20-22)45-19-7-13-30-31(33(43)44)38-35(47-30)41-18-16-23-9-5-10-24(25(23)21-41)32(42)39-34-37-27-11-3-4-12-29(27)46-34/h3-5,9-12,14-15,20H,7,13,16-19,21H2,1-2H3,(H,43,44)(H,37,39,42)
InChIKey
SOYCFODXNRVBTI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of A-1155463
CAS: 1235034-55-5
CID: 59447577
Formula: C35H32FN5O4S2
MW: 669.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight669.8
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Exact Mass669.18797503
Monoisotopic Mass669.18797503
Topological Polar Surface Area164 Ų
Heavy Atom Count47
Formal Charge0
Complexity1150
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

Alternative Products

CatalogName
B6163-25A-1155463
440627-01A-1155463 Hydrochloride
A16112-25A-1155463 25mg
A16112-2A-1155463 2mg
C18039A-1155463 Dihydrochloride

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