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SPH3127

CAT: 0013-GTR19185975-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19185975-04Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SPH3127 is a potent, orally bioavailable direct renin inhibitor, demonstrating low nanomolar IC50 values against human renin. It is a research tool for studying hypertension, with applications in both in vitro enzymatic assays and in vivo models of cardiovascular disease.
CAS Number
1399849-02-5
Field of Research
Metabolism Research
Purity
99.88% (May vary between batches)
Smiles
[C@@H] (N (C (=O) [C@H]1CNCCO1) C2CC2) (C) C=3C=4C (N (CCCNC (OC) =O) N3) =NC (C) =CC4
Molecular Formula
C22H32N6O4
Molecular Weight
444.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Sitokiren

SPH-3127 is under investigation in clinical trial NCT05359068 (Study to Evaluate the Efficacy and Safety of SPH3127 in Patients With Mild-moderate Essential Hypertension).

CAS Number1399849-02-5
PubChem CID117877477
IUPAC Namemethyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-6-methylpyrazolo[5,4-b]pyridin-1-yl]propyl]carbamate
Molecular FormulaC22H32N6O4
Molecular Weight444.5
XLogP0.8
Topological Polar Surface Area111
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity662
SMILES
CC1=NC2=C(C=C1)C(=NN2CCCNC(=O)OC)[C@@H](C)N(C3CC3)C(=O)[C@H]4CNCCO4
InChI
InChI=1S/C22H32N6O4/c1-14-5-8-17-19(26-27(20(17)25-14)11-4-9-24-22(30)31-3)15(2)28(16-6-7-16)21(29)18-13-23-10-12-32-18/h5,8,15-16,18,23H,4,6-7,9-13H2,1-3H3,(H,24,30)/t15-,18-/m1/s1
InChIKey
GRTDDIZIUSADLD-CRAIPNDOSA-N
Chemical Structure
2D Structure
2D structure of Sitokiren
CAS: 1399849-02-5
CID: 117877477
Formula: C22H32N6O4
MW: 444.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight444.5
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass444.24850352
Monoisotopic Mass444.24850352
Topological Polar Surface Area111 Ų
Heavy Atom Count32
Formal Charge0
Complexity662
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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