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GL-1001 sodium salt

CAT: 0013-GTR19208405-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208405-01Size:25 mg
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Description
GL-1001 sodium salt is a small molecule inhibitor of angiotensin-converting enzyme 2 (ACE2) . It is a research tool used in vitro and in vivo to study ACE2-related pathways in cardiovascular disease, hypertension, and viral entry mechanisms.
CAS Number
1315337-39-3
Smiles
[Na+].[Na+].CC (C) C[C@H] (N[C@@H] (Cc1cncn1Cc1cc (Cl) cc (Cl) c1) C ([O-]) =O) C ([O-]) =O
Molecular Formula
C19H21Cl2N3Na2O4
Molecular Weight
472.27
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

GL-1001 sodium salt
CAS Number1315337-39-3
PubChem CID53340876
IUPAC Namedisodium;(2S)-2-[[(1S)-1-carboxylato-2-[3-[(3,5-dichlorophenyl)methyl]imidazol-4-yl]ethyl]amino]-4-methylpentanoate
Molecular FormulaC19H21Cl2N3Na2O4
Molecular Weight472.3
Topological Polar Surface Area110
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity516
SMILES
CC(C)C[C@@H](C(=O)[O-])N[C@@H](CC1=CN=CN1CC2=CC(=CC(=C2)Cl)Cl)C(=O)[O-].[Na+].[Na+]
InChI
InChI=1S/C19H23Cl2N3O4.2Na/c1-11(2)3-16(18(25)26)23-17(19(27)28)7-15-8-22-10-24(15)9-12-4-13(20)6-14(21)5-12;;/h4-6,8,10-11,16-17,23H,3,7,9H2,1-2H3,(H,25,26)(H,27,28);;/q;2*+1/p-2/t16-,17-;;/m0../s1
InChIKey
IPWUFTSXOGIJFE-SZKOKKDDSA-L
Chemical Structure
2D Structure
2D structure of GL-1001 sodium salt
CAS: 1315337-39-3
CID: 53340876
Formula: C19H21Cl2N3Na2O4
MW: 472.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight472.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass471.0704501
Monoisotopic Mass471.0704501
Topological Polar Surface Area110 Ų
Heavy Atom Count30
Formal Charge0
Complexity516
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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