ZINC00881524
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MedKoo CAT#: 530918

CAS#: 557782-81-7

Description: ZINC00881524 is a potent and selective ROCK inhibitor. Clinically, inhibition of ROCK pathway is believed to contribute to some of the cardiovascular benefits of statin therapy that are independent of lipid lowering (ie, pleiotropic effects).


Chemical Structure

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ZINC00881524
CAS# 557782-81-7

Theoretical Analysis

MedKoo Cat#: 530918
Name: ZINC00881524
CAS#: 557782-81-7
Chemical Formula: C21H20N2O3S
Exact Mass: 380.1195
Molecular Weight: 380.462
Elemental Analysis: C, 66.30; H, 5.30; N, 7.36; O, 12.62; S, 8.43

Price and Availability

Size Price Availability Quantity
25.0mg USD 90.0 Ready to ship
50.0mg USD 150.0 Ready to ship
100.0mg USD 250.0 Ready to ship
200.0mg USD 450.0 Ready to ship
500.0mg USD 950.0 Ready to ship
1.0g USD 1650.0 Ready to ship
2.0g USD 2950.0 2 Weeks
5.0g USD 6450.0 2 Weeks
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Synonym: ZINC00881524; ZINC-00881524; ZINC 00881524.

IUPAC/Chemical Name: N-(4,5-dihydronaphtho[1,2-d]thiazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide

InChi Key: DQNMDJGZWFZNHS-UHFFFAOYSA-N

InChi Code: InChI=1S/C21H20N2O3S/c1-25-16-9-7-13(11-17(16)26-2)12-19(24)22-21-23-20-15-6-4-3-5-14(15)8-10-18(20)27-21/h3-7,9,11H,8,10,12H2,1-2H3,(H,22,23,24)

SMILES Code: O=C(NC1=NC2=C(CCC3=C2C=CC=C3)S1)CC4=CC=C(OC)C(OC)=C4

Appearance: Solid powder

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

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Biological target: ZINC00881524 is a ROCK inhibitor.
In vitro activity: TBD
In vivo activity: TBD

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 135.33 355.7
DMSO:PBS (pH 7.2) (1:2) 0.33 0.87
DMF 30.0 78.85

Preparing Stock Solutions

The following data is based on the product molecular weight 380.462 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol: TBD
In vitro protocol: TBD
In vivo protocol: TBD

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Additional Information

The Rho kinase (ROCK) isoforms, ROCK1 and ROCK2, were initially discovered as downstream targets of the small GTP-binding protein Rho. Because ROCKs mediate various important cellular functions such as cell shape, motility, secretion, proliferation, and gene expression, it is likely that this pathway will intersect with other signaling pathways known to contribute to cardiovascular disease. Indeed, ROCKs have already been implicated in the regulation of vascular tone, proliferation, inflammation, and oxidative stress. However, it is not entirely clear how ROCKs are regulated, what some of their downstream targets are, and whether ROCK1 and ROCK2 mediate different cellular functions.