ABT-639

• CAT Number: I000942
• CAS Number: 1235560-28-7
• Molecular Formula: C20H20ClF2N3O3S
• Molecular Weight: 455.91
• Purity: ≥95%
• Target: Ca2+ channel
• Solubility: DMSO: ≤ 10 mg/mL
• Storage: Store at -20°C
• IC50: 2 μM
• IUPAC Name: 5-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-4-chloro-2-fluoro-N-(2-fluorophenyl)benzenesulfonamide
• InChI: InChI=1S/C20H20ClF2N3O3S/c21-15-11-17(23)19(30(28,29)24-18-6-2-1-5-16(18)22)10-14(15)20(27)26-9-8-25-7-3-4-13(25)12-26/h1-2,5-6,10-11,13,24H,3-4,7-9,12H2/t13-/m1/s1
• InChIKey: AGPIHNZOZNKRGT-CYBMUJFWSA-N
• SMILES: O=S(C1=CC(C(N2C[C@](CCC3)([H])N3CC2)=O)=C(Cl)C=C1F)(NC4=CC=CC=C4F)=O

ABT-639 (Cat.No:I000942) is a selective T-type calcium channel blocker that can potentially be used as an analgesic for the treatment of neuropathic pain. It has been shown to have high affinity and selectivity for T-type calcium channels, and studies have demonstrated its efficacy in reducing pain in animal models.

Reference

1:A Randomized, Double-Blind, Placebo-Controlled, Crossover Study of the T-Type Calcium Channel Blocker ABT-639 in an Intradermal Capsaicin Experimental Pain Model in Healthy Adults. Wallace M, Duan R, Liu W, Locke C, Nothaft W.Pain Med. 2016 Mar;17(3):551-560. Epub 2015 Dec 16. PMID: 26814294 2:Optimization of ADME Properties for Sulfonamides Leading to the Discovery of a T-Type Calcium Channel Blocker, ABT-639. Zhang Q, Xia Z, Joshi S, Scott VE, Jarvis MF.ACS Med Chem Lett. 2015 Apr 28;6(6):641-4. doi: 10.1021/acsmedchemlett.5b00023. eCollection 2015 Jun 11. PMID: 26101566 Free PMC Article3:A randomized double-blind, placebo-, and active-controlled study of T-type calcium channel blocker ABT-639 in patients with diabetic peripheral neuropathic pain. Ziegler D, Duan WR, An G, Thomas JW, Nothaft W.Pain. 2015 Oct;156(10):2013-20. doi: 10.1097/j.pain.0000000000000263. PMID: 26067585 Free PMC Article4:Effects of a T-type calcium channel blocker, ABT-639, on spontaneous activity in C-nociceptors in patients with painful diabetic neuropathy: a randomized controlled trial. Serra J, Duan WR, Locke C, Solà R, Liu W, Nothaft W.Pain. 2015 Nov;156(11):2175-83. doi: 10.1097/j.pain.0000000000000249. PMID: 26035253 5:Erratum to: population pharmacokinetics and exposure-uric acid analyses after single and multiple doses of ABT-639, a calcium channel blocker, in healthy volunteers. An G, Liu W, Duan WR, Nothaft W, Awni W, Dutta S.AAPS J. 2015 Mar;17(2):481-92. doi: 10.1208/s12248-015-9725-9. No abstract available. PMID: 25676842 Free PMC Article6:Population pharmacokinetics and exposure-uric acid analyses after single and multiple doses of ABT-639, a calcium channel blocker, in healthy volunteers. An G, Liu W, Duan WR, Nothaft W, Awni W, Dutta S.AAPS J. 2015 Mar;17(2):416-26. doi: 10.1208/s12248-014-9709-1. Epub 2015 Jan 8. Erratum in: AAPS J. 2015 Mar;17(2):481-92. PMID: 25567367 Free PMC Article7:A peripherally acting, selective T-type calcium channel blocker, ABT-639, effectively reduces nociceptive and neuropathic pain in rats. Jarvis MF, Scott VE, McGaraughty S, Chu KL, Xu J, Niforatos W, Milicic I, Joshi S, Zhang Q, Xia Z.Biochem Pharmacol. 2014 Jun 15;89(4):536-44. doi: 10.1016/j.bcp.2014.03.015. Epub 2014 Apr 12. PMID: 24726441