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BA-1049

CAT: 0013-GTR19209976-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209976-01Size:25 mg
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Description
BA-1049 is a potent and selective small molecule inhibitor targeting ROCK2. It is utilized in research to investigate Rho-kinase signaling pathways in vitro and has been applied in vivo within models of neurological and cardiovascular function.
CAS Number
1973494-16-4
Field of Research
Cell Biology, Signal Transduction, Stem Cell & Developmental Biology
Smiles
S (=O) (=O) (C=1C2=C (C=CC1) C=NC=C2) N3CCC ([C@@H] (C) N) CC3
Molecular Formula
C16H21N3O2S
Molecular Weight
319.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(1R)-1-(1-isoquinolin-5-ylsulfonylpiperidin-4-yl)ethanamine
CAS Number1973494-16-4
PubChem CID122428084
IUPAC Name(1R)-1-(1-isoquinolin-5-ylsulfonylpiperidin-4-yl)ethanamine
Molecular FormulaC16H21N3O2S
Molecular Weight319.4
XLogP1.5
Topological Polar Surface Area84.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity468
SMILES
C[C@H](C1CCN(CC1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3)N
InChI
InChI=1S/C16H21N3O2S/c1-12(17)13-6-9-19(10-7-13)22(20,21)16-4-2-3-14-11-18-8-5-15(14)16/h2-5,8,11-13H,6-7,9-10,17H2,1H3/t12-/m1/s1
InChIKey
MGLIYKZFLDTAMW-GFCCVEGCSA-N
Chemical Structure
2D Structure
2D structure of (1R)-1-(1-isoquinolin-5-ylsulfonylpiperidin-4-yl)ethanamine
CAS: 1973494-16-4
CID: 122428084
Formula: C16H21N3O2S
MW: 319.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight319.4
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass319.13544809
Monoisotopic Mass319.13544809
Topological Polar Surface Area84.7 Ų
Heavy Atom Count22
Formal Charge0
Complexity468
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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