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A-770041

CAT: 0013-GTR19240007-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19240007-07Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A-770041 is a selective, orally bioavailable Lck inhibitor that suppresses IL-2 production in stimulated whole blood and prevents cardiac allograft rejection. It also attenuates pulmonary fibrosis by reducing TGF-β from regulatory T cells, making it a research tool for studying immunology and fibrosis in vitro and in vivo.
CAS Number
869748-10-7
Product Name Alternative
Rat, selective, Src, small-molecule, T cell, acute rejection, A770041, A-770041, A 770041, concanavalin A, IL-2, Lck
Field of Research
Cardiovascular Research, Signal Transduction
Purity
99.23% (May vary between batches)
Solubility
DMSO:20 mg/mL (32.17 mM)
Smiles
NC1=C2C (=NN (C2=NC=N1) [C@H]3CC[C@@H] (CC3) N4CCN (C (C) =O) CC4) C5=CC (OC) =C (NC (=O) C6=CC=7C (N6C) =CC=CC7) C=C5
Molecular Formula
C34H39N9O3
Molecular Weight
621.73
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1H-Indole-2-carboxamide, N-(4-(1-(trans-4-(4-acetyl-1-piperazinyl)cyclohexyl)-4-amino-1H-pyrazolo(3,4-d)pyrimidin-3-yl)-2-methoxyphenyl)-1-methyl-

N-[4-[1-[4-(4-acetyl-1-piperazinyl)cyclohexyl]-4-amino-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]-1-methyl-2-indolecarboxamide is an aromatic amide.

CAS Number869748-10-7
PubChem CID9549184
IUPAC NameN-[4-[1-[4-(4-acetylpiperazin-1-yl)cyclohexyl]-4-aminopyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide
Molecular FormulaC34H39N9O3
Molecular Weight621.7
XLogP3.3
Topological Polar Surface Area136
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count46
Formal Charge0
Complexity1070
SMILES
CC(=O)N1CCN(CC1)C2CCC(CC2)N3C4=NC=NC(=C4C(=N3)C5=CC(=C(C=C5)NC(=O)C6=CC7=CC=CC=C7N6C)OC)N
InChI
InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)
InChIKey
ZMNWFTYYYCSSTF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1H-Indole-2-carboxamide, N-(4-(1-(trans-4-(4-acetyl-1-piperazinyl)cyclohexyl)-4-amino-1H-pyrazolo(3,4-d)pyrimidin-3-yl)-2-methoxyphenyl)-1-methyl-
CAS: 869748-10-7
CID: 9549184
Formula: C34H39N9O3
MW: 621.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight621.7
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass621.31758614
Monoisotopic Mass621.31758614
Topological Polar Surface Area136 Ų
Heavy Atom Count46
Formal Charge0
Complexity1070
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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Alternative Products

CatalogName
BA9013-5.1A-770041
A11288-1A-770041 1mg
A11288-100A-770041 100mg
A11288-50A-770041 50mg
A11288-25A-770041 25mg
A11288-200A-770041 200mg
A11288-10A-770041 10mg
A11288-5A-770041 5mg
A11288-10mM-DA-770041 10mM * 1mL in DMSO

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