Gastrazole sodium

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MedKoo CAT#: 530120

CAS#: 862583-15-1

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

Chemical Structure

Gastrazole sodium
CAS# 862583-15-1

Theoretical Analysis

MedKoo Cat#: 530120
Name: Gastrazole sodium
CAS#: 862583-15-1
Chemical Formula: C34H32FN5Na2O7
Exact Mass: 0.00
Molecular Weight: 687.640
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 not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales or click below button.
Note: Price will be listed if it is available in the future.

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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 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)

Biological target:
In vitro activity:
In vivo activity:

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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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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.