CP-99994

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H24N2O
Molecular Weight	296.4067
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(CN[C@H]2CCCN[C@H]2C3=CC=CC=C3)C=CC=C1

InChI

InChIKey=DTQNEFOKTXXQKV-HKUYNNGSSA-N

InChI=1S/C19H24N2O/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/t17-,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C19H24N2O
Molecular Weight	296.4067
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/7693914
Curator's Comment: description was created based on several sources, including: http://adisinsight.springer.com/drugs/800002331 | https://www.ncbi.nlm.nih.gov/pubmed/9834049 | https://www.ncbi.nlm.nih.gov/pubmed/20651222 | https://www.ncbi.nlm.nih.gov/pubmed/7663799

CP 99994 dihydrochloride have shown the compound to be a potent, selective and competitive NK-1 receptor antagonist. In preclinical studies, CP 99994 decreased cough number, peak abdominal activity, and peak tracheal pressure, without affecting baseline respiration. But in clinical trial administration of CP 99994 over 2 h does not significantly inhibit hypertonic saline-induced bronchoconstriction or cough in subjects with mild asthma. CP 99994 significantly suppressed acute postoperative pain at 90 min after surgery.

CNS Activity

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Neurokinin 1 receptor 35 Target ID: CHEMBL249 Sources: https://www.ncbi.nlm.nih.gov/pubmed/7693914	Antagonist 2778		0.25 nM [Ki]

Conditions

Condition	Modality	Highest Phase	Product
Asthma 241 Sources: https://www.ncbi.nlm.nih.gov/pubmed/7663799	Primary	Phase II 1132	Unknown Approved Use Unknown
Acute postoperative pain 1 Sources: https://www.ncbi.nlm.nih.gov/pubmed/9834049	Primary	Phase II 1132	Unknown Approved Use Unknown
Cough 106 Sources: http://adisinsight.springer.com/drugs/800002331 https://www.ncbi.nlm.nih.gov/pubmed/20651222	Primary	Preclinical	Unknown Approved Use Unknown

Doses

Dose	Population	Adverse events
250 ug/kg 1 times / day multiple, intravenous (total daily dose) Studied dose Dose: 250 ug/kg, 1 times / day Route: intravenous Route: multiple Dose: 250 ug/kg, 1 times / day Sources: https://pubmed.ncbi.nlm.nih.gov/7663799	unhealthy n = 14 Health Status: unhealthy Condition: asthma Sex: M Food Status: UNKNOWN Population Size: 14 Sources: https://pubmed.ncbi.nlm.nih.gov/7663799	Sources: https://pubmed.ncbi.nlm.nih.gov/7663799

Sourcing

Vendor/Aggregator	ID	URL
Alfa Chemistry	ACM136982360	http://www.alfa-chemistry.com/search.aspx?q=ACM136982360
AstaTech	43692	http://astatechinc.com/CPSResult.php?CRNO=43692
HongKong Chemhere	SCD16476
MolPort	MolPort-023-276-800	https://www.molport.com/shop/molecule-link/MolPort-023-276-800
MuseChem	R055596	https://www.musechem.com/product/R055596.html
Princeton BioMolecular Research	PBMR221950	http://www.princetonbio.com/order_online?common_id=PBMR221950
Tocris	3417	https://www.tocris.com/search.php?Type=QuickSearch&Value=3417
eMolecules	300599559	https://orderbb.emolecules.com/search/#?query=300599559
eMolecules	36500812	https://orderbb.emolecules.com/search/#?query=36500812
eMolecules	50577913	https://orderbb.emolecules.com/search/#?query=50577913
mcule	MCULE-2266905047	https://mcule.com/MCULE-2266905047/

PubMed

Title	Date	PubMed
A new NK1 receptor antagonist (CP-99,994) prevents the increase in tracheal vascular permeability produced by hypertonic saline.	1993 Jul	7687291
Pharmacology of CP-99,994; a nonpeptide antagonist of the tachykinin neurokinin-1 receptor.	1993 Oct	7693914
Endothelium-dependent contraction in intrapulmonary arteries: mediation by endothelial NK1 receptors and TXA2.	1995 Aug	7582548

Patents

Sample Use Guides

In Vivo Use Guide

Dose range 0.178 to 10 mg/kg 30 min after [Sar9,Met(O2)11]-SPinfusion.

Route of Administration: Other

In Vitro Use Guide

The endothelium-dependent contraction induced by substance P (10(-8) M) was abolished by NK1 antagonist CP-99994 (0.01 nM – 100 nM).

Substance Class	Chemical Created by `admin` on `Sat Dec 16 13:58:42 GMT 2023` Edited by `admin` on `Sat Dec 16 13:58:42 GMT 2023`
Record UNII	5KM4QA7RZC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CP-99994

Code

English

(2S,3S)-3-(2-METHOXYBENZYLAMINO)-2-PHENYLPIPERIDINE

Systematic Name

English

(+)-CP-99994

Code

English

3-PIPERIDINAMINE, N-((2-METHOXYPHENYL)METHYL)-2-PHENYL-, (2S,3S)-

Systematic Name

English

Code System Code Type Description

FDA UNII

5KM4QA7RZC

Created by admin on Sat Dec 16 13:58:42 GMT 2023 , Edited by admin on Sat Dec 16 13:58:42 GMT 2023

PRIMARY

PUBCHEM

5311057

Created by admin on Sat Dec 16 13:58:42 GMT 2023 , Edited by admin on Sat Dec 16 13:58:42 GMT 2023

PRIMARY

EPA CompTox

DTXSID10929612

Created by admin on Sat Dec 16 13:58:42 GMT 2023 , Edited by admin on Sat Dec 16 13:58:42 GMT 2023

PRIMARY

CAS

136982-36-0

Created by admin on Sat Dec 16 13:58:42 GMT 2023 , Edited by admin on Sat Dec 16 13:58:42 GMT 2023

PRIMARY

Details

SMILES

InChI

CNS Activity

Originator

Approval Year

Targets

Conditions

Approved Use

Approved Use

Approved Use

Doses

Sourcing

PubMed

Patents

Sample Use Guides