WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H329450
CAS#: 209733-45-9 (free base)
Description: Anatibant, also known as LF 16-0687, is a potent non-peptide bradykinin B2 receptor antagonist. Anatibant reduces intracranial hypertension and histopathological damage after experimental traumatic brain injury. The inhibition of bradykinin B2 receptors seems to be a promising treatment option for traumatic brain injury.
Hodoodo Cat#: H329450
Name: Anatibant
CAS#: 209733-45-9 (free base)
Chemical Formula: C34H36Cl2N6O5S
Exact Mass: 0.00
Molecular Weight: 711.659
Elemental Analysis: C, 57.38; H, 5.10; Cl, 9.96; N, 11.81; O, 11.24; S, 4.50
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.
Related CAS #: 1332585-65-5 (mseylate) 209733-45-9 (free base)
Synonym: Anatibant; LF 16-0687; LF-16-0687; LF16-0687; LF 160687; LF-160687; LF160687. LF 16-0687Ms
IUPAC/Chemical Name: (2S)-N-(3-(4-Carbamimidoylbenzamido)propyl)-1-(2,4-dichloro-3-((2,4-dimethyl-8-quinolyloxy)methyl)phenylsulfonyl)pyrrolidine-2-carboxamide
InChi Key: XUHBBTKJWIBQMY-MHZLTWQESA-N
InChi Code: InChI=1S/C34H36Cl2N6O5S/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/h3,6,8-14,18,27H,4-5,7,15-17,19H2,1-2H3,(H3,37,38)(H,39,43)(H,40,44)/t27-/m0/s1
SMILES Code: O=C([C@H]1N(S(=O)(C2=CC=C(Cl)C(COC3=C4N=C(C)C=C(C)C4=CC=C3)=C2Cl)=O)CCC1)NCCCNC(C5=CC=C(C(N)=N)C=C5)=O
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# 209733-45-9 (Anatibant free base) 515880-69-0 (Anatibant mesylate)
Biological target: | |
In vitro activity: | |
In vivo activity: |
The following data is based on the product molecular weight 711.66 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.
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: |
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.