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Renin inhibitor-1

CAT: 0931-T62138-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T62138-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1093082-54-2
Target
Others, RAAS
Related Pathways
Endocrinology/Hormones, Others
Bioactivity
Renin inhibitor-1 (compound 26) is a potent and orally active renin inhibitor with IC50 values of 0.9 nM against rh-renin and 1.8 nM against hPRA, potentially useful for renal disease treatment.
Smiles
C(N(C(=O)[C@H]1CNCCO1)C2CC2)C=3C=4C(N(CCCNC(OC)=O)C3)=CC=CC4
Molecular Formula
C22H30N4O4
Molecular Weight
414.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Renin inhibitor-1
CAS Number1093082-54-2
PubChem CID59494220
IUPAC Namemethyl N-[3-[3-[[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]methyl]indol-1-yl]propyl]carbamate
Molecular FormulaC22H30N4O4
Molecular Weight414.5
XLogP1.1
Topological Polar Surface Area84.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count30
Formal Charge0
Complexity600
SMILES
COC(=O)NCCCN1C=C(C2=CC=CC=C21)CN(C3CC3)C(=O)[C@H]4CNCCO4
InChI
InChI=1S/C22H30N4O4/c1-29-22(28)24-9-4-11-25-14-16(18-5-2-3-6-19(18)25)15-26(17-7-8-17)21(27)20-13-23-10-12-30-20/h2-3,5-6,14,17,20,23H,4,7-13,15H2,1H3,(H,24,28)/t20-/m1/s1
InChIKey
NIPWZZBPFRFZBX-HXUWFJFHSA-N
Chemical Structure
2D Structure
2D structure of Renin inhibitor-1
CAS: 1093082-54-2
CID: 59494220
Formula: C22H30N4O4
MW: 414.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.5
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass414.22670545
Monoisotopic Mass414.22670545
Topological Polar Surface Area84.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity600
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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