Anatibant dimesylate

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

Hodoodo CAT#: H125017

CAS#: 1332585-65-5 (mseylate)

Description: Anatibant was a selective small-molecule antagonist of the bradykinin B2 receptor that was undergoing clinical development with Xytis and Fournier for the treatment of brain injuries.

Chemical Structure

img
Anatibant dimesylate
CAS# 1332585-65-5 (mseylate)
Instruction

Theoretical Analysis

Hodoodo Cat#: H125017
Name: Anatibant dimesylate
CAS#: 1332585-65-5 (mseylate)
Chemical Formula: C36H44Cl2N6O11S3
Exact Mass: 902.16
Molecular Weight: 903.860
Elemental Analysis: C, 47.84; H, 4.91; Cl, 7.84; N, 9.30; O, 19.47; S, 10.64

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 @hodoodo.com or click below button.
Note: Price will be listed if it is available in the future.

Request quote for custom synthesis

Related CAS #: 1332585-65-5 (mseylate)   209733-45-9 (free base)    

Synonym: Anatibant dimesilate; Anatibant dimesylate; 16I7ZY06ZY; UNII-16I7ZY06ZY; 1332585-65-5

IUPAC/Chemical Name: (S)-N-(3-(4-carbamimidoylbenzamido)propyl)-1-((2,4-dichloro-3-(((2,4-dimethylquinolin-8-yl)oxy)methyl)phenyl)sulfonyl)pyrrolidine-2-carboxamide dimethanesulfonate

InChi Key: YTTYYRCGZDOABP-LPCSYZHESA-N

InChi Code: InChI=1S/C34H36Cl2N6O5S.2CH4O3S/c1-20-18-21(2)41-31-24(20)6-3-8-28(31)47-19-25-26(35)13-14-29(30(25)36)48(45,46)42-17-4-7-27(42)34(44)40-16-5-15-39-33(43)23-11-9-22(10-12-23)32(37)38;2*1-5(2,3)4/h3,6,8-14,18,27H,4-5,7,15-17,19H2,1-2H3,(H3,37,38)(H,39,43)(H,40,44);2*1H3,(H,2,3,4)/t27-;;/m0../s1

SMILES Code: CS(O)(=O)=O.CS(O)(=O)=O.CC1=NC2=C(C=CC=C2OCC3=C(Cl)C(=CC=C3Cl)S(=O)(=O)N4CCC[C@H]4C(=O)NCCCNC(=O)C5=CC=C(C=C5)C(N)=N)C(C)=C1

Appearance: To be determined

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: To be determined

Shelf Life: >2 years if stored properly

Drug Formulation: To be determined

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 903.86 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:

Molarity Calculator

Calculate the mass, volume, or concentration required for a solution.
=
x
x
g/mol

*When preparing stock solutions always use the batch-specific molecular weight of the product found on the vial label and SDS / CoA (available online).

Reconstitution Calculator

The reconstitution calculator allows you to quickly calculate the volume of a reagent to reconstitute your vial. Simply enter the mass of reagent and the target concentration and the calculator will determine the rest.

=
÷

Dilution Calculator

Calculate the dilution required to prepare a stock solution.
x
=
x

1: Simmon VF. Response to: The BRAIN TRIAL: a randomised, placebo controlled trial of a Bradykinin B2 receptor antagonist (Anatibant) in patients with traumatic brain injury. Trials. 2009 Dec 3;10:110; author reply 111. doi: 10.1186/1745-6215-10-110. PubMed PMID: 19958522; PubMed Central PMCID: PMC2797007.

2: Shakur H, Andrews P, Asser T, Balica L, Boeriu C, Quintero JD, Dewan Y, Druwé P, Fletcher O, Frost C, Hartzenberg B, Mantilla JM, Murillo-Cabezas F, Pachl J, Ravi RR, Rätsep I, Sampaio C, Singh M, Svoboda P, Roberts I. The BRAIN TRIAL: a randomised, placebo controlled trial of a Bradykinin B2 receptor antagonist (Anatibant) in patients with traumatic brain injury. Trials. 2009 Dec 3;10:109. doi: 10.1186/1745-6215-10-109. PubMed PMID: 19958521; PubMed Central PMCID: PMC2794266.

3: Zweckberger K, Plesnila N. Anatibant, a selective non-peptide bradykinin B2 receptor antagonist, reduces intracranial hypertension and histopathological damage after experimental traumatic brain injury. Neurosci Lett. 2009 Apr 24;454(2):115-7. doi: 10.1016/j.neulet.2009.02.014. PubMed PMID: 19429066.

4: Ongali B, Hellal F, Rodi D, Plotkine M, Marchand-Verrecchia C, Pruneau D, Couture R. Autoradiographic analysis of mouse brain kinin B1 and B2 receptors after closed head trauma and ability of Anatibant mesylate to cross the blood-brain barrier. J Neurotrauma. 2006 May;23(5):696-707. PubMed PMID: 16689671.

5: Marmarou A, Guy M, Murphey L, Roy F, Layani L, Combal JP, Marquer C; American Brain Injury Consortium.. A single dose, three-arm, placebo-controlled, phase I study of the bradykinin B2 receptor antagonist Anatibant (LF16-0687Ms) in patients with severe traumatic brain injury. J Neurotrauma. 2005 Dec;22(12):1444-55. PubMed PMID: 16379582.