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MedKoo Cat#: 524104 | Name: ABT 102

Description:

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

ABT 102 is a potent and selective antagonist of transient receptor potential vanilloid 1 (TRPV1) receptors under clinical trials. It is a very promising approach for pain management.

Chemical Structure

ABT 102
ABT 102
CAS#808756-71-0

Theoretical Analysis

MedKoo Cat#: 524104

Name: ABT 102

CAS#: 808756-71-0

Chemical Formula: C21H24N4O

Exact Mass: 348.1950

Molecular Weight: 348.44

Elemental Analysis: C, 72.39; H, 6.94; N, 16.08; O, 4.59

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
ABT 102; ABT-102; ABT102; CHEMBL398338;
IUPAC/Chemical Name
Urea, N-((1R)-5-(1,1-dimethylethyl)-2,3-dihydro-1H-inden-1-yl)-N'-1H-indazol-4-yl-
InChi Key
TYOYXJNGINZFET-GOSISDBHSA-N
InChi Code
InChI=1S/C21H24N4O/c1-21(2,3)14-8-9-15-13(11-14)7-10-18(15)24-20(26)23-17-5-4-6-19-16(17)12-22-25-19/h4-6,8-9,11-12,18H,7,10H2,1-3H3,(H,22,25)(H2,23,24,26)/t18-/m1/s1
SMILES Code
O=C(NC1=CC=CC2=C1C=NN2)N[C@@H]3CCC4=C3C=CC(C(C)(C)C)=C4
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, not in water
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

Preparing Stock Solutions

The following data is based on the product molecular weight 348.44 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: Jog R, Kumar S, Shen J, Jugade N, Tan DC, Gokhale R, Burgess DJ. Formulation design and evaluation of amorphous ABT-102 nanoparticles. Int J Pharm. 2016 Feb 10;498(1-2):153-69. doi: 10.1016/j.ijpharm.2015.12.033. Epub 2015 Dec 15. PubMed PMID: 26705150. 2: Frank KJ, Westedt U, Rosenblatt KM, Hölig P, Rosenberg J, Mägerlein M, Fricker G, Brandl M. What is the mechanism behind increased permeation rate of a poorly soluble drug from aqueous dispersions of an amorphous solid dispersion? J Pharm Sci. 2014 Jun;103(6):1779-86. doi: 10.1002/jps.23979. Epub 2014 Apr 24. PubMed PMID: 24764046. 3: Leys LJ, Chu KL, Xu J, Pai M, Yang HS, Robb HM, Jarvis MF, Radek RJ, McGaraughty S. Disturbances in slow-wave sleep are induced by models of bilateral inflammation, neuropathic, and postoperative pain, but not osteoarthritic pain in rats. Pain. 2013 Jul;154(7):1092-102. doi: 10.1016/j.pain.2013.03.019. Epub 2013 Mar 15. PubMed PMID: 23664655. 4: Frank KJ, Westedt U, Rosenblatt KM, Hölig P, Rosenberg J, Mägerlein M, Fricker G, Brandl M. The amorphous solid dispersion of the poorly soluble ABT-102 forms nano/microparticulate structures in aqueous medium: impact on solubility. Int J Nanomedicine. 2012;7:5757-68. doi: 10.2147/IJN.S36571. Epub 2012 Nov 12. PubMed PMID: 23166440; PubMed Central PMCID: PMC3500034. 5: Othman AA, Nothaft W, Awni WM, Dutta S. Effects of the TRPV1 antagonist ABT-102 on body temperature in healthy volunteers: pharmacokinetic/ pharmacodynamic analysis of three phase 1 trials. Br J Clin Pharmacol. 2013 Apr;75(4):1029-40. doi: 10.1111/j.1365-2125.2012.04405.x. PubMed PMID: 22966986; PubMed Central PMCID: PMC3612721. 6: Frank KJ, Rosenblatt KM, Westedt U, Hölig P, Rosenberg J, Mägerlein M, Fricker G, Brandl M. Amorphous solid dispersion enhances permeation of poorly soluble ABT-102: true supersaturation vs. apparent solubility enhancement. Int J Pharm. 2012 Nov 1;437(1-2):288-93. doi: 10.1016/j.ijpharm.2012.08.014. Epub 2012 Aug 20. PubMed PMID: 22951865. 7: Schaffler K, Reeh P, Duan WR, Best AE, Othman AA, Faltynek CR, Locke C, Nothaft W. An oral TRPV1 antagonist attenuates laser radiant-heat-evoked potentials and pain ratings from UV(B)-inflamed and normal skin. Br J Clin Pharmacol. 2013 Feb;75(2):404-14. doi: 10.1111/j.1365-2125.2012.04377.x. PubMed PMID: 22775239; PubMed Central PMCID: PMC3579255. 8: Frank KJ, Westedt U, Rosenblatt KM, Hölig P, Rosenberg J, Mägerlein M, Brandl M, Fricker G. Impact of FaSSIF on the solubility and dissolution-/permeation rate of a poorly water-soluble compound. Eur J Pharm Sci. 2012 Aug 30;47(1):16-20. doi: 10.1016/j.ejps.2012.04.015. Epub 2012 May 1. PubMed PMID: 22579958. 9: Kort ME, Kym PR. TRPV1 antagonists: clinical setbacks and prospects for future development. Prog Med Chem. 2012;51:57-70. doi: 10.1016/B978-0-12-396493-9.00002-9. Review. PubMed PMID: 22520471. 10: Othman AA, Nothaft W, Awni WM, Dutta S. Pharmacokinetics of the TRPV1 antagonist ABT-102 in healthy human volunteers: population analysis of data from 3 phase 1 trials. J Clin Pharmacol. 2012 Jul;52(7):1028-41. doi: 10.1177/0091270011407497. Epub 2011 May 12. PubMed PMID: 21566201. 11: Rowbotham MC, Nothaft W, Duan WR, Wang Y, Faltynek C, McGaraughty S, Chu KL, Svensson P. Oral and cutaneous thermosensory profile of selective TRPV1 inhibition by ABT-102 in a randomized healthy volunteer trial. Pain. 2011 May;152(5):1192-200. doi: 10.1016/j.pain.2011.01.051. Epub 2011 Mar 4. PubMed PMID: 21377273. 12: Kym PR, Kort ME, Hutchins CW. Analgesic potential of TRPV1 antagonists. Biochem Pharmacol. 2009 Aug 1;78(3):211-6. doi: 10.1016/j.bcp.2009.02.014. Epub 2009 Mar 5. PubMed PMID: 19481638. 13: Honore P, Chandran P, Hernandez G, Gauvin DM, Mikusa JP, Zhong C, Joshi SK, Ghilardi JR, Sevcik MA, Fryer RM, Segreti JA, Banfor PN, Marsh K, Neelands T, Bayburt E, Daanen JF, Gomtsyan A, Lee CH, Kort ME, Reilly RM, Surowy CS, Kym PR, Mantyh PW, Sullivan JP, Jarvis MF, Faltynek CR. Repeated dosing of ABT-102, a potent and selective TRPV1 antagonist, enhances TRPV1-mediated analgesic activity in rodents, but attenuates antagonist-induced hyperthermia. Pain. 2009 Mar;142(1-2):27-35. doi: 10.1016/j.pain.2008.11.004. Epub 2009 Jan 9. PubMed PMID: 19135797. 14: Surowy CS, Neelands TR, Bianchi BR, McGaraughty S, El Kouhen R, Han P, Chu KL, McDonald HA, Vos M, Niforatos W, Bayburt EK, Gomtsyan A, Lee CH, Honore P, Sullivan JP, Jarvis MF, Faltynek CR. (R)-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)-urea (ABT-102) blocks polymodal activation of transient receptor potential vanilloid 1 receptors in vitro and heat-evoked firing of spinal dorsal horn neurons in vivo. J Pharmacol Exp Ther. 2008 Sep;326(3):879-88. doi: 10.1124/jpet.108.138511. Epub 2008 May 30. PubMed PMID: 18515644. 15: Gomtsyan A, Bayburt EK, Schmidt RG, Surowy CS, Honore P, Marsh KC, Hannick SM, McDonald HA, Wetter JM, Sullivan JP, Jarvis MF, Faltynek CR, Lee CH. Identification of (R)-1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea (ABT-102) as a potent TRPV1 antagonist for pain management. J Med Chem. 2008 Feb 14;51(3):392-5. doi: 10.1021/jm701007g. Epub 2008 Jan 10. PubMed PMID: 18183945.