Fulacimstat

CAT: 0804-HY-109059-04Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-109059-04Size:10 mg

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Description

Fulacimstat is an orally available chymase inhibitor, with IC50s of 4, 3 nM for human and hamster chymase enzyme, respectively.

CAS Number

1488354-15-9

Product Name Alternative

BAY1142524

UNSPSC

12352005

Target

Others

Type

Reference compound

Related Pathways

Others

Applications

COVID-19-immunoregulation

Field of Research

Cardiovascular Disease

Assay Protocol

https://www.medchemexpress.com/Fulacimstat.html

Purity

99.86

Solubility

DMSO : 50 mg/mL (ultrasonic)

Smiles

O=C(N(C1=CC=C(N2C)C(OC2=O)=C1)C=C(C(O)=O)C3=O)N3[C@H]4C5=CC=CC(C(F)(F)F)=C5CC4

Molecular Formula

C23H16F3N3O6

Molecular Weight

487.38

References & Citations

[1]Hanna Tinel, et al. Abstract 13624: A Novel Chymase Inhibitor BAY 1142524 Reduces Fibrosis and Improves Cardiac Function After Myocardial Infarction in Hamster. Circulation. 2018;136:A13624.|[2]Kanefendt F, et al. Pharmacokinetics, Safety, and Tolerability of the Novel Chymase Inhibitor BAY 1142524 in Healthy Male Volunteers. Clin Pharmacol Drug Dev. 2018 Jun 7.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound1

Clinical Information

Phase 2

Chemical Information

Fulacimstat

Fulacimstat is under investigation in clinical trial NCT02452515 (A Single-blind Pilot Study to Investigate Safety and Tolerability of the Chymase Inhibitor BAY1142524 in Clinically Stable Patients With Left-ventricular Dysfunction).

CAS Number	1488354-15-9
PubChem CID	91758792
IUPAC Name	1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2,4-dioxo-3-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxylic acid
Molecular Formula	C23H16F3N3O6
Molecular Weight	487.4
XLogP	3.4
Topological Polar Surface Area	107
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Heavy Atom Count	35
Formal Charge	0
Complexity	984

SMILES

CN1C2=C(C=C(C=C2)N3C=C(C(=O)N(C3=O)[C@@H]4CCC5=C4C=CC=C5C(F)(F)F)C(=O)O)OC1=O

InChI

InChI=1S/C23H16F3N3O6/c1-27-17-7-5-11(9-18(17)35-22(27)34)28-10-14(20(31)32)19(30)29(21(28)33)16-8-6-12-13(16)3-2-4-15(12)23(24,25)26/h2-5,7,9-10,16H,6,8H2,1H3,(H,31,32)/t16-/m1/s1

InChIKey

JDARDSVOVYVQST-MRXNPFEDSA-N

Chemical Structure

2D Structure

CAS: 1488354-15-9

CID: 91758792

Formula: C23H16F3N3O6

MW: 487.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	487.4
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Exact Mass	487.09911972
Monoisotopic Mass	487.09911972
Topological Polar Surface Area	107 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	984
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

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S0042-5mg	Fulacimstat
A19202-10	Fulacimstat 10mg
A19202-5	Fulacimstat 5mg
A19202-1	Fulacimstat 1mg
A19202-100	Fulacimstat 100mg
A19202-50	Fulacimstat 50mg
A19202-25	Fulacimstat 25mg
A19202-10mM-D	Fulacimstat 10mM * 1mL in DMSO

Fulacimstat

Chemical Information

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