MedKoo Cat#: 596197 | Name: Gastrazole free acid

Description:

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

Gastrazole, also know as JB-95008, is a CCK2 receptor antagonist potentially for the treatment of pancreatic cancer.

Chemical Structure

Gastrazole free acid
Gastrazole free acid
CAS#174610-98-1

Theoretical Analysis

MedKoo Cat#: 596197

Name: Gastrazole free acid

CAS#: 174610-98-1

Chemical Formula: C34H34FN5O7

Exact Mass: 643.2442

Molecular Weight: 643.67

Elemental Analysis: C, 63.44; H, 5.32; F, 2.95; N, 10.88; O, 17.40

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Synonym
Gastrazole free acid; Gastrazole; JB-95008; JB95008; JB 95008;
IUPAC/Chemical Name
(S)-5-(2-(6-((cycloheptylmethyl)carbamoyl)-1H-benzo[d]imidazole-5-carboxamido)-3-(2-fluorophenyl)propanamido)isophthalic acid
InChi Key
CUVGKDWFTDAHSS-LJAQVGFWSA-N
InChi Code
1S/C34H34FN5O7/c35-26-10-6-5-9-20(26)14-29(32(43)39-23-12-21(33(44)45)11-22(13-23)34(46)47)40-31(42)25-16-28-27(37-18-38-28)15-24(25)30(41)36-17-19-7-3-1-2-4-8-19/h5-6,9-13,15-16,18-19,29H,1-4,7-8,14,17H2,(H,36,41)(H,37,38)(H,39,43)(H,40,42)(H,44,45)(H,46,47)/t29-/m0/s1
SMILES Code
O=C(Nc1cc(C(O)=O)cc(C(O)=O)c1)[C@@H](NC(c2c(C(NCC3CCCCCC3)=O)cc4[nH]cnc4c2)=O)Cc5ccccc5F
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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 643.67 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
1: Black JW. Reflections on some pilot trials of gastrin receptor blockade in pancreatic cancer. Eur J Cancer. 2009 Feb;45(3):360-4. doi: 10.1016/j.ejca.2008.11.026. Epub 2009 Jan 7. Review. PubMed PMID: 19131241. 2: Rudholm T, Wallin B, Theodorsson E, Näslund E, Hellström PM. Release of regulatory gut peptides somatostatin, neurotensin and vasoactive intestinal peptide by acid and hyperosmolal solutions in the intestine in conscious rats. Regul Pept. 2009 Jan 8;152(1-3):8-12. doi: 10.1016/j.regpep.2008.10.002. Epub 2008 Oct 10. PubMed PMID: 18992283. 3: Chau I, Cunningham D, Russell C, Norman AR, Kurzawinski T, Harper P, Harrison P, Middleton G, Daniels F, Hickish T, Prendeville J, Ross PJ, Theis B, Hull R, Walker M, Shankley N, Kalindjian B, Murray G, Gillbanks A, Black J. Gastrazole (JB95008), a novel CCK2/gastrin receptor antagonist, in the treatment of advanced pancreatic cancer: results from two randomised controlled trials. Br J Cancer. 2006 Apr 24;94(8):1107-15. PubMed PMID: 16622436; PubMed Central PMCID: PMC2361246. 4: Freedman JM, Barrett TD, Shankley NP. A novel, quantitative bio-assay for cholecystokinin type-1 receptor activity in the anaesthetised rat. J Pharmacol Toxicol Methods. 2006 Jul-Aug;54(1):36-41. Epub 2005 Oct 24. PubMed PMID: 16246596. 5: Bayés M, Rabasseda X, Prous JR. Gateways to clinical trials. Methods Find Exp Clin Pharmacol. 2004 Jan-Feb;26(1):53-84. Review. PubMed PMID: 14988742.