MPI_5a

CAT: 1410-M26762-02Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No

1 / 1

CAT#:1410-M26762-02Size:1 mL x 10 mM in DMSO

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

Description

MPI_5a is an effective and selective inhibitor of HDAC6 (IC50=36 nM) .

CAS Number

1259296-46-2

Stability

≥ 2 years

Purity

>98% (HPLC)

Weight

299.33

Molecular Formula

C16H17N3O3

Notes

Research use only, not for human use.

Receptor

Secretin

Chemical Information

N-hydroxy-2-(1-methyl-1H-pyrrole-2-carbonyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide

CAS Number	1259296-46-2
PubChem CID	49831258
IUPAC Name	N-hydroxy-2-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide
Molecular Formula	C16H17N3O3
Molecular Weight	299.32
XLogP	0.8
Topological Polar Surface Area	74.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	22
Formal Charge	0
Complexity	442

SMILES

CN1C=CC=C1C(=O)N2CCC3=C(C2)C=CC(=C3)C(=O)NO

InChI

InChI=1S/C16H17N3O3/c1-18-7-2-3-14(18)16(21)19-8-6-11-9-12(15(20)17-22)4-5-13(11)10-19/h2-5,7,9,22H,6,8,10H2,1H3,(H,17,20)

InChIKey

NNQAQGDSGCGFER-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1259296-46-2

CID: 49831258

Formula: C16H17N3O3

MW: 299.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	299.32
XLogP3	0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	299.12699141
Monoisotopic Mass	299.12699141
Topological Polar Surface Area	74.6 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	442
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes