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Merck
CN

SML0752

(+)-CP-99994 dihydrochloride

≥98% (HPLC), neurokinin (NK)-1 tachykinin antagonist, powder

Synonym(s):

(2S,3S)-3-(2-Methoxybenzylamino)-2-phenylpiperidine dihydrochloride, CP-99,994, CP-99994, CP99,994, CP99994

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About This Item

Empirical Formula (Hill Notation):
C19H24N2O · 2HCl
CAS Number:
145148-39-6
Molecular Weight:
369.33
UNSPSC Code:
12352200
NACRES:
NA.77
Assay:
≥98% (HPLC)
Form:
powder
Quality level:
100
Storage condition:
desiccated

Key Documents

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Product Name

(+)-CP-99994 dihydrochloride, ≥98% (HPLC)

SMILES string

[Cl-].[Cl-].[N+H2]1[C@H]([C@H](CCC1)[N+H2]Cc3c(cccc3)OC)c2ccccc2

InChI

1S/C19H24N2O.2ClH/c1-22-18-12-6-5-10-16(18)14-21-17-11-7-13-20-19(17)15-8-3-2-4-9-15;;/h2-6,8-10,12,17,19-21H,7,11,13-14H2,1H3;2*1H/t17-,19-;;/m0../s1

InChI key

WNHRFWPLRATIDT-FFUVTKDNSA-N

assay

≥98% (HPLC)

form

powder

storage condition

desiccated

color

white to beige

solubility

H2O: 15 mg/mL, clear

storage temp.

2-8°C

Quality Level

100

Related Categories

Biochem/physiol Actions

(+)-CP-99994 dihydrochloride is an effective and selective non-peptide substance P receptor antagonist. It is synthesized from allylic and homoallylic C-H diamination of 4-phenyl-1-butene. (+)-CP-99994 exhibits anti-emetic activity in ferrets.
(+)-CP-99994 is a selective neurokinin (NK)-1 tachykinin antagonist.
(+)-CP-99994 is a selective neurokinin (NK)-1 tachykinin antagonist. (+)-CP-99994 binds selectively and with high affinity with a Ki of 0.25 nM in a human cell line.

pictograms

Environment
GHS09

signalword

Warning

hcodes

H410

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
0000400348
0000351287
0000351287
0000400348
0000249150

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Effects of HSP-117, a novel tachykinin NK1-receptor antagonist, on cisplatin-induced pica as a new evaluation of delayed emesis in rats.
Saeki M, et al.
Japanese Journal of Pharmacology, 86(3), 359-362 (2001)
Synthesis of (+)-CP-99,994 via Pd (0)-Catalyzed Asymmetric Allylic and Homoallylic C? H Diamination of Terminal Olefin.
Fu R, et al.
The Journal of Organic Chemistry, 74(19), 7577-7580 (2009)

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