Carotegrast

    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 319808

CAS#: 401904-75-4

Description: Carotegrast, also known as HCA 2969, is a metoblite of carotegrast methyl. HCA2969 selectively inhibited the in vitro binding of α4 integrin (α4β7/α4β1) to the cell adhesion molecules. Carotegrast methyl, also known as AJM300 and PTC-100, is an orally-active small molecule that antagonises the α4 integrin receptor.


Chemical Structure

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Carotegrast
CAS# 401904-75-4

Theoretical Analysis

MedKoo Cat#: 319808
Name: Carotegrast
CAS#: 401904-75-4
Chemical Formula: C27H24Cl2N4O5
Exact Mass: 554.11
Molecular Weight: 555.412
Elemental Analysis: C, 58.39; H, 4.36; Cl, 12.77; N, 10.09; O, 14.40

Price and Availability

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Synonym: Carotegrast; HCA 2969; HCA-2969; HCA2969;

IUPAC/Chemical Name: (S)-2-(2,6-dichlorobenzamido)-3-(4-(6-(dimethylamino)-1-methyl-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)phenyl)propanoic acid

InChi Key: YQKBOUPIOWUMTE-NRFANRHFSA-N

InChi Code: InChI=1S/C27H24Cl2N4O5/c1-31(2)17-11-12-22-18(14-17)25(35)33(27(38)32(22)3)16-9-7-15(8-10-16)13-21(26(36)37)30-24(34)23-19(28)5-4-6-20(23)29/h4-12,14,21H,13H2,1-3H3,(H,30,34)(H,36,37)/t21-/m0/s1

SMILES Code: O=C(O)[C@@H](NC(C1=C(Cl)C=CC=C1Cl)=O)CC2=CC=C(N3C(N(C)C4=C(C=C(N(C)C)C=C4)C3=O)=O)C=C2

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, not in water

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

More Info:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 555.41 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:
In vitro protocol:
In vivo protocol:

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10: Fukase H, Kajioka T, Oikawa I, Ikeda N, Furuie H. Food Effect on a Single High Dose of Carotegrast Methyl, an Oral Antagonist of α4-Integrin, in Healthy Male Subjects: A Randomised, Placebo-Controlled, Double-Blind Study. Clin Drug Investig. 2020 Mar;40(3):237-247. doi: 10.1007/s40261-019-00879-1. PMID: 31965548; PMCID: PMC7035301.


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