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

MedKoo CAT#: 206099

CAS#: 153438-49-4

Description: Dapitant, also known as RPR100893, is potent and selective NK1 receptor antagonist both in vitro and in vivo, and exhibits high affinity for guinea pig and human NK1 receptor . Dapitant was developed as a potential drug for the acute treatment of migraine. However, in clinical trials, it was not effective.

Chemical Structure

CAS# 153438-49-4

Theoretical Analysis

MedKoo Cat#: 206099
Name: Dapitant
CAS#: 153438-49-4
Chemical Formula: C37H39NO4
Exact Mass: 561.28791
Molecular Weight: 561.70986
Elemental Analysis: C, 79.11; H, 7.00; N, 2.49; O, 11.39

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

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Synonym: RPR100893; RPR 100893; RPR-100893; Erispant; Dapitant.

IUPAC/Chemical Name: (S)-1-((3aS,4S,7aS)-4-hydroxy-4-(2-methoxyphenyl)-7,7-diphenylhexahydro-1H-isoindol-2(3H)-yl)-2-(2-methoxyphenyl)propan-1-one


InChi Code: InChI=1S/C37H39NO4/c1-26(29-18-10-12-20-33(29)41-2)35(39)38-24-31-32(25-38)37(40,30-19-11-13-21-34(30)42-3)23-22-36(31,27-14-6-4-7-15-27)28-16-8-5-9-17-28/h4-21,26,31-32,40H,22-25H2,1-3H3/t26-,31-,32+,37+/m0/s1

SMILES Code: C[C@@H](C1=CC=CC=C1OC)C(N2C[C@]3([H])C(C4=CC=CC=C4)(C5=CC=CC=C5)CC[C@](C6=CC=CC=C6OC)(O)[C@]3([H])C2)=O

Appearance: white 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

Preparing Stock Solutions

The following data is based on the product molecular weight 561.70986 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

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1: Diener HC; RPR100893 Study Group. RPR100893, a substance-P antagonist, is not effective in the treatment of migraine attacks. Cephalalgia. 2003 Apr;23(3):183-5. PubMed PMID: 12662184.

2: Campbell EA, Gentry C, Patel S, Kidd B, Cruwys S, Fox AJ, Urban L. Oral anti-hyperalgesic and anti-inflammatory activity of NK(1) receptor antagonists in models of inflammatory hyperalgesia of the guinea-pig. Pain. 2000 Sep;87(3):253-63. PubMed PMID: 10963905.

3: Kerdelhué B, Williams RF, Lenoir V, Fardin V, Kolm P, Hodgen GD, Jones GS, Scholler R, Jones HW Jr. Variations in plasma levels of substance P and effects of a specific substance P antagonist of the NK(1) receptor on preovulatory LH and FSH surges and progesterone secretion in the cycling cynomolgus monkey. Neuroendocrinology. 2000 Apr;71(4):228-36. PubMed PMID: 10773742.

4: Dapitant. RPR 100893. Drugs R D. 1999 Dec;2(6):383-4. PubMed PMID: 10763446.

5: Kerr KP, Mitchelson F, Coupar IM. Tachykinins play a minor role in mediating the third phase of the contractile response to vagal nerve stimulation of the guinea-pig oesophagus. Neuropeptides. 2000 Feb;34(1):12-7. PubMed PMID: 10688963.

6: Campbell EA, Gentry CT, Patel S, Panesar MS, Walpole CS, Urban L. Selective neurokinin-1 receptor antagonists are anti-hyperalgesic in a model of neuropathic pain in the guinea-pig. Neuroscience. 1998 Dec;87(3):527-32. PubMed PMID: 9758219.

7: Alia S, Azérad J, Pollin B. Effects of RPR 100893, a potent NK1 antagonist, on the jaw-opening reflex in the guinea pig. Brain Res. 1998 Mar 16;787(1):99-106. PubMed PMID: 9518568.

8: Suzuki N. [Migraine and neurotransmitters]. Nihon Naika Gakkai Zasshi. 1998 Feb 10;87(2):365-72. Review. Japanese. PubMed PMID: 9549335.

9: Kerdelhué B, Gordon K, Williams R, Lenoir V, Fardin V, Chevalier P, Garret C, Duval P, Kolm P, Hodgen G, Jones H, Jones GS. Stimulatory effect of a specific substance P antagonist (RPR 100893) of the human NK1 receptor on the estradiol-induced LH and FSH surges in the ovariectomized cynomolgus monkey. J Neurosci Res. 1997 Oct 1;50(1):94-103. PubMed PMID: 9379497.

10: Floch A, Thiry C, Cavero I. Pharmacological evidence that NK-2 tachykinin receptors mediate hypotension in the guinea pig but not in the rat. Fundam Clin Pharmacol. 1996;10(4):337-43. PubMed PMID: 8871132.

Additional Information