MedKoo Cat#: 530120 | Name: Gastrazole sodium

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 sodium
Gastrazole sodium
CAS#862583-15-1

Theoretical Analysis

MedKoo Cat#: 530120

Name: Gastrazole sodium

CAS#: 862583-15-1

Chemical Formula: C34H32FN5Na2O7

Exact Mass:

Molecular Weight: 687.64

Elemental Analysis: C, 59.39; H, 4.69; F, 2.76; N, 10.18; Na, 6.69; O, 16.29

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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Related CAS #
No Data
Synonym
Gastrazole; Gastrazole sodium; JB-95008; JB95008; JB 95008
IUPAC/Chemical Name
sodium (S)-5-(2-(6-(cycloheptyl(methyl)carbamoyl)-1H-benzo[d]imidazole-5-carboxamido)-3-(2-fluorophenyl)propanamido)isophthalate
InChi Key
OHDLJFNGLVCFIN-UJXPALLWSA-L
InChi Code
InChI=1S/C34H34FN5O7.2Na/c1-40(23-9-4-2-3-5-10-23)32(43)25-17-28-27(36-18-37-28)16-24(25)30(41)39-29(15-19-8-6-7-11-26(19)35)31(42)38-22-13-20(33(44)45)12-21(14-22)34(46)47;;/h6-8,11-14,16-18,23,29H,2-5,9-10,15H2,1H3,(H,36,37)(H,38,42)(H,39,41)(H,44,45)(H,46,47);;/q;2*+1/p-2/t29-;;/m0../s1
SMILES Code
O=C(C1=CC(NC([C@@H](NC(C2=C(C(N(C3CCCCCC3)C)=O)C=C4C(N=CN4)=C2)=O)CC5=CC=CC=C5F)=O)=CC(C([O-])=O)=C1)[O-].[Na+].[Na+]
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
Related CAS# 862583-15-1 (Gastrazole sodium ) 174610-98-1 (Gastrazole Free)

Preparing Stock Solutions

The following data is based on the product molecular weight 687.64 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: Harper EA, Mitchell EA, Griffin EP, Kalindjian SB. Thermodynamic analysis does not allow discrimination of agonists and antagonists at human CCK2S-receptors. Eur J Pharmacol. 2008 Feb 26;581(1-2):1-12. PubMed PMID: 18158148. 2: Harper EA, Roberts SP, Kalindjian SB. Thermodynamic analysis of ligands at cholecystokinin CCK2 receptors in rat cerebral cortex. Br J Pharmacol. 2007 Aug;151(8):1352-67. PubMed PMID: 17592503; PubMed Central PMCID: PMC2189820. 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: Clarke PA, Dickson JH, Harris JC, Grabowska A, Watson SA. Gastrin enhances the angiogenic potential of endothelial cells via modulation of heparin-binding epidermal-like growth factor. Cancer Res. 2006 Apr 1;66(7):3504-12. PubMed PMID: 16585174. 5: Buck IM, Black JW, Cooke T, Dunstone DJ, Gaffen JD, Griffin EP, Harper EA, Hull RA, Kalindjian SB, Lilley EJ, Linney ID, Low CM, McDonald IM, Pether MJ, Roberts SP, Shankley NP, Shaxted ME, Steel KI, Sykes DA, Tozer MJ, Watt GF, Walker MK, Wright L, Wright PT. Optimization of the in vitro and in vivo properties of a novel series of 2,4,5-trisubstituted imidazoles as potent cholecystokinin-2 (CCK2) antagonists. J Med Chem. 2005 Nov 3;48(22):6803-12. PubMed PMID: 16250639.