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EMA401

CAT: 0013-GTR19163863-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19163863-01Size:200 mg
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Description
EMA401 (Olodanrigan) is a potent, highly selective angiotensin II type 2 receptor (AT2R) antagonist, inhibits capsaicin responses in cultured neurons of human and rat DRG with IC50 of 10 nM; EMA401 is a novel peripherally-restricted analgesic, may act on paracrine/autocrine mechanisms at peripheral nerve terminals, or intracrine mechanisms, to reduce neuropathic pain signalling in AngII/NGF/TRPV1-convergent pathways.Pain Phase 2 Clinical (In Vivo) :EMA401 (10 mg/kg; p.o.) results in a significant attenuation of theta power and increase in paw withdrawal latencies (PWL) in rats at day 14 after chronic constriction injury (CCI) .
CAS Number
1316755-16-4
Product Name Alternative
EMA 401 | EMA-401 | Olodanrigan
Purity
>98% (HPLC)
Solubility
DMSO: ≥ 34 mg/mL
Smiles
COC1=C (C2=C (CN (C (C2) C (=O) O) C (=O) C (C3=CC=CC=C3) C4=CC=CC=C4) C=C1) OCC5=CC=CC=C5
Molecular Formula
C32H29NO5
Molecular Weight
507.5764
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
3-Isoquinolinecarboxylic acid, 2- (2,2-diphenylacetyl) -1,2,3,4-tetrahydro-6-methoxy-5- (phenylmethoxy) -, (3S) -

Chemical Information

(3S)-2-(2,2-Diphenylacetyl)-1,2,3,4-tetrahydro-6-methoxy-5-(phenylmethoxy)-3-isoquinolinecarboxylic acid

Olodanrigan is under investigation in clinical trial NCT03297294 (Safety and Efficacy of EMA401 in Patients With Painful Diabetic Neuropathy (PDN)).

CAS Number1316755-16-4
PubChem CID9937291
IUPAC Name(3S)-2-(2,2-diphenylacetyl)-6-methoxy-5-phenylmethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Molecular FormulaC32H29NO5
Molecular Weight507.6
XLogP5.6
Topological Polar Surface Area76.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count38
Formal Charge0
Complexity752
SMILES
COC1=C(C2=C(CN([C@@H](C2)C(=O)O)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C=C1)OCC5=CC=CC=C5
InChI
InChI=1S/C32H29NO5/c1-37-28-18-17-25-20-33(31(34)29(23-13-7-3-8-14-23)24-15-9-4-10-16-24)27(32(35)36)19-26(25)30(28)38-21-22-11-5-2-6-12-22/h2-18,27,29H,19-21H2,1H3,(H,35,36)/t27-/m0/s1
InChIKey
GHBCIXGRCZIPNQ-MHZLTWQESA-N
Chemical Structure
2D Structure
2D structure of (3S)-2-(2,2-Diphenylacetyl)-1,2,3,4-tetrahydro-6-methoxy-5-(phenylmethoxy)-3-isoquinolinecarboxylic acid
CAS: 1316755-16-4
CID: 9937291
Formula: C32H29NO5
MW: 507.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight507.6
XLogP35.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass507.20457303
Monoisotopic Mass507.20457303
Topological Polar Surface Area76.1 Ų
Heavy Atom Count38
Formal Charge0
Complexity752
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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