BAY-7598 is a potent, orally bioavailable, and selective MMP12 inhibitor probe with IC50s of 0.085, 0.67 and 1.1 nM for human MMP12, murine MMP12, and rat MMP12, respectively.

Product information

CAS Number: 1816257-74-5

Molecular Weight: 505.56

Formula: C28H31N3O6

Chemical Name: (1S,2S,5R)-2-{4-[2-(oxan-4-yl)ethoxy]benzoyl}-5-[(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl]cyclopentane-1-carboxylic acid

Smiles: OC(=O)[C@@H]1[C@H](CC[C@H]1CN1N=NC2=CC=CC=C2C1=O)C(=O)C1C=CC(=CC=1)OCCC1CCOCC1

InChiKey: ZGBAPSHWPBXEKN-OPHFCASCSA-N

InChi: InChI=1S/C28H31N3O6/c32-26(19-5-8-21(9-6-19)37-16-13-18-11-14-36-15-12-18)23-10-7-20(25(23)28(34)35)17-31-27(33)22-3-1-2-4-24(22)29-30-31/h1-6,8-9,18,20,23,25H,7,10-17H2,(H,34,35)/t20-,23-,25-/m0/s1

Technical Data

Appearance: Solid Power

Purity: ≥98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis

Storage Condition: Dry, dark and -20 ^oC for 1 year or refer to the Certificate of Analysis.

Shelf Life: ≥12 months if stored properly.

Stock Solution Storage: 0 - 4 ^oC for 1 month or refer to the Certificate of Analysis.

Drug Formulation: To be determined

HS Tariff Code: 382200

How to use

In Vitro:

BAY-7598 inhibits human MMP2, MMP3, MMP7, MMP8, MMP9, MMP10, MMP13, MMP14, and MMP16 with IC50s of 44, 360, 600, 15, 460, 12, 67, 250, and 940 nM, respectively. BAY-7598 inhibits murine MMP2, MMP3, MMP7, MMP8, and MMP9 with IC50s of 45, 270, 130, 54, and 210 nM, respectively. BAY-7598 inhibits rat MMP2, MMP8, and MMP9 with IC50s of 45, 67, and 1000 nM, respectively.

In Vivo:

BAY-7598 has moderate terminal elimination half-life (t1/2=4.6 h and 4.1 h for mouse (0.3 mg/kg, iv), mouse (5.0 mg/kg, p.o.) , respectively).

Products are for research use only. Not for human use.