Mirivadelgat

CAT: 0013-GTR19250057-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19250057-01Size:10 mg

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Description

Mirivadelgat is a small molecule activator of aldehyde dehydrogenase 2 (ALDH2) . It is a valuable research tool for investigating diseases such as interstitial lung disease and pulmonary arterial hypertension, with studies demonstrating its utility in both in vitro and in vivo experimental models.

CAS Number

1804941-96-5

Field of Research

Metabolism Research

Smiles

C (OC ([C@H] (C (C) C) N) =O) C1=C (N=CC=C1) C2=CC (C (NCC3=CC (F) =C (OC) C=C3) =O) =C (OCC4CC4) C=C2

Molecular Formula

C30H34FN3O5

Molecular Weight

535.607

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Mirivadelgat

Mirivadelgat is an orally bioavailable selective activator of the mitochondrial isoform of aldehyde dehydrogenase (ALDH2), with potential protective activity. Upon oral administration, mirivadelgat increases ALDH2 activity. This increases the metabolism of toxic reactive aldehydes and lowers the level of the toxic aldehydes. This may protect cells from the toxic aldehydes and prevent mitochondria diseases and disorders. ALDH2, a mitochondrial regulator of toxic aldehyde metabolism, plays an important role in the metabolism of toxic aldehydes. Toxic aldehydes are produced by oxidative stress.

CAS Number	1804941-96-5
PubChem CID	126646947
IUPAC Name	[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate
Molecular Formula	C30H34FN3O5
Molecular Weight	535.6
XLogP	4.2
Topological Polar Surface Area	113
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	13
Heavy Atom Count	39
Formal Charge	0
Complexity	797

SMILES

CC(C)[C@@H](C(=O)OCC1=C(N=CC=C1)C2=CC(=C(C=C2)OCC3CC3)C(=O)NCC4=CC(=C(C=C4)OC)F)N

InChI

InChI=1S/C30H34FN3O5/c1-18(2)27(32)30(36)39-17-22-5-4-12-33-28(22)21-9-11-25(38-16-19-6-7-19)23(14-21)29(35)34-15-20-8-10-26(37-3)24(31)13-20/h4-5,8-14,18-19,27H,6-7,15-17,32H2,1-3H3,(H,34,35)/t27-/m0/s1

InChIKey

ONYMVJFFLSQCKA-MHZLTWQESA-N

Chemical Structure

2D Structure

CAS: 1804941-96-5

CID: 126646947

Formula: C30H34FN3O5

MW: 535.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	535.6
XLogP3	4.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	13
Exact Mass	535.24824936
Monoisotopic Mass	535.24824936
Topological Polar Surface Area	113 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	797
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

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Catalog	Name
HY-168985	Mirivadelgat

Mirivadelgat

Chemical Information

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