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(CAS: 170729-80-3)

Suppliers of Aprepitant

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AOBIOUS INC [email protected] (508) 306-0937 USA

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AdooQ BioScience, LLC [email protected] 855-GO-ADOOQ (855-462-3667) (US & Canada Toll Free) 866-930-6790 (US & Canada Toll Free) +1-323-389-9269 (Outside of US & Canada) USA

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Quality Control & MSDS Files: CoA MSDS

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MedChemexpress Co., Ltd. [email protected] 609-228-6898 USA

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Quality Control & MSDS Files: HNMR MSDS

MedKoo Biosciences, Inc. [email protected] 919-279-0682 USA

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Selleck Chemicals LLC [email protected] +1-832-582-8158 USA

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Background Information of Aprepitant

Aprepitant is an antiemetic chemical compound that belongs to a class of drugs called substance P antagonists (SPA).

Solubility of Aprepitant

Solubility Sources
DMSO ≥105mg/mL Water <1.2mg/mL Ethanol ≥6.5mg/mL MedChemexpress Co., Ltd.
Soluble in DMSO, not in water MedKoo Biosciences, Inc.
(25°C) * In vitro DMSO 107 mg/mL (200.21 mM); Ethanol15 mg/mL (28.06 mM); Water<1 mg/mL (<1 mM); In vivo 30% PEG400+0.5% Tween80+5% Propylene glycol30 mg/mL Selleck Chemicals LLC

Storage Condition of Aprepitant

Storage Condition Sources
to one week at 4°C or six months at -20°C. Affix Scientific
Storage condition:Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years). Stock solution storage:0 - 4 C for short term (days to weeks), or -20 C for long term (months). 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. MedKoo Biosciences, Inc.

MSDS Information

MSDS Sources
Affix Scientific
MedChemexpress Co., Ltd.
MedKoo Biosciences, Inc.

Quality Control and Spectral Data

QC Reports Sources
[CoA] Affix Scientific
[HNMR] MedChemexpress Co., Ltd.
[CoA] [HNMR] [MS] MedKoo Biosciences, Inc.
[HPLC] [HNMR] Selleck Chemicals LLC

Mechanism and Indications

Signaling Pathways Neuronal Signaling GPCR/G Protein
Target Neurokinin Receptor
Research Area Neurological Disease
Indications Emesis Pruritus Chemotherapy-induced emesis Nausea

Clinical Information

Product Name Sponsor & Collaborators Indications Start Date End Date Phase
Aprepitant Yonsei University Emesis 2012/6/30 2013/6/30 Phase 4 Clinical
Aprepitant Vanderbilt University Pruritus 2012/2/29 Phase 4 Clinical
Aprepitant Gynecologic Oncology Associates Chemotherapy-induced emesis 2011/9/30 2012/12/31 Phase 4 Clinical
Aprepitant Rouen University Hospital 2009/6/30 2010/6/30 Phase 4 Clinical
Aprepitant Mayo Foundation Emesis 2007/7/31 2011/10/31 Phase 4 Clinical
Aprepitant Mayo Foundation Nausea 2007/7/31 2011/10/31 Phase 4 Clinical
Aprepitant - Launched

Chemical Information

M.Wt Formula CAS No. Synonyms
534.43 C23H21F7N4O3 170729-80-3 Aprepitant; 5-[2(R)-[1(R)-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3(S)-(4-fluorophenyl)morpholin-4-ylmethyl]-3,4-dihydro-2H-1,2,4-triazol-3-one; 5-(((2R,3S)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-1H-1,2,4-triazol-3(2H)-one

Structure Information of Aprepitant

Smiles O=C1N=C(CN2[[email protected]@H](C(C=C3)=CC=C3F)[[email protected]](OCC2)O[[email protected]](C)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)NN1
InChI InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19+,20-/m1/s1

Related Products

Other Form Products of Aprepitant

Name CAS Formula Suppliers
PD150606 179528-45-1 C9H7IO2S 12
Nanchangmycin 65101-87-3 C47H77NaO14 9
AN2718 174672-06-1 C7H6BClO2 5
LRE1 1252362-53-0 C12H13ClN4S 4
FMK 9a 1955550-51-2 C23H21FN2O3 5
EGFR-IN-2 1643497-70-4 C26H33N9O3S 3
XMU-MP-1 2061980-01-4 C17H16N6O3S2 10
ML385 846557-71-9 C31H29N3O2S 8

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Name CAS Formula Suppliers
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NETUPITANT 290297-26-6 C30H32F6N4O 15
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NEUROKININ A 86933-74-6 C50H80N14O14S 7
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Recommended Products in the Same Indication

Name CAS Formula Suppliers
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Palonosetron 135729-61-2 C19H24N2O 7
Palonosetron (Hydrochloride) 135729-62-3 C19H25ClN2O 21
Granisetron (Hydrochloride) 107007-99-8 C18H25ClN4O 23
Granisetron 109889-09-0 C18H24N4O 12

Chemical and Physical Properties

Appearance:White to off-white solid Melting point:244-246°C
Boiling point: Flash Point:
Water Solubility: Solubility:In vitro:DMSO,107 mg/mL(200.21 mM);In vitro:Ethanol,15 mg/mL(28.06 mM);In vitro:Water,Insoluble;In vivo:Add solvents to the product individually and in order(Data is from Selleck tests instead of citations):5% DMSO+corn oilFor best results, use promptly a
Density: Merck:
BRN: Refractive Index:
Vapour: EINECS:
Optical Rotation: alpha:


[1].Martin Keller et al. Lack of Efficacy of the Substance P (Neurokinin1 Receptor) Antagonist Aprepitant in the Treatment of Major Depressive Disorder Biological Psychiatry Volume 59, Issue 3, 1 February 2006, Pages 216-223

[2].David G. Warr et al. Evaluation of risk factors predictive of nausea and vomiting with current standard-of-care antiemetic treatment: analysis of phase 3 trial of aprepitant in patients receiving adriamycin–cyclophosphamide-based chemotherapy SUPPORTIVE CARE IN CANCER Volume 19, Number 6, 807-813

[3].Roscoe JA, Heckler CE, Morrow GR, Mohile SG, Dakhil SR, Wade JL, Kuebler JP.Prevention of Delayed Nausea: A University of Rochester Cancer Center Community Clinical Oncology Program Study of Patients Receiving Chemotherapy.J Clin Oncol. 2012 Aug 20.

[4].Albany C, Brames MJ, Fausel C, Johnson CS, Picus J, Einhorn LH.Randomized, Double-Blind, Placebo-Controlled, Phase III Cross-Over Study Evaluating the Oral Neurokinin-1 Antagonist Aprepitant in Combination With a 5HT3 Receptor Antagonist and Dexamethasone in Patients With Germ Cell Tumors Receiving 5-Day Cisplatin Combination Chemotherapy Regimens: A Hoosier Oncology Group Study.J Clin Oncol. 2012 Aug 20.

[5].Stiff PJ, Fox-Geiman MP, Kiley K, Rychlik K, Parthasarathy M, Fletcher-Gonzalez D, Porter N, Go A, Smith SE, Rodriguez TE.Prevention of Nausea and Vomiting Associated with Stem Cell Transplant: Results of a Prospective, Randomized Trial of Aprepitant used with Highly Emetogenic Preparative Regimens.Biol Blood Marrow Transplant. 2012 Aug 1.

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