NKP608 - ≥99% , CAS No.177707-12-9

CAS: 177707-12-9 Cat. No.: N125026 Molecular Weight: 619.98
AVAILABLE TO ORDER
GRADE & PURITY ≥99%
Synonyms
CGP-608 | ((2r,4s)-N-[1-{3,5-bis(trifluoromethyl)-benzoyl}-2-(4-chloro-benzyl)-4-piperidinyl]-quinoline-4-carboxamide) | NCGC00378898-01 | 4-Quinolinecarboxamide, N-[(2R,4S)-1-[3,5-bis(trifluoromethyl)benzoyl]-2-[(4-chlorophenyl)methyl]-4-piperidinyl]- |
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
N125026-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$351.90
10mg
N125026-10mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$483.90
50mg
N125026-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,964.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
CGP-608 | ((2r, 4s)-N-[1-{3, 5-bis(trifluoromethyl)-benzoyl}-2-(4-chloro-benzyl)-4-piperidinyl]-quinoline-4-carboxamide) | NCGC00378898-01 | 4-Quinolinecarboxamide, N-[(2R, 4S)-1-[3, 5-bis(trifluoromethyl)benzoyl]-2-[(4-chlorophenyl)methyl]-4-piperidinyl]- |
Specifications & Purity
≥99%
Biochemical and Physiological Mechanisms

NKP608 is a non-peptidic derivative of 4-aminopiperidine which acts as a selective, specific and potent antagonist at the neurokinin-1 (NK-1) receptor both in vitro and in vivo. In vitro, the binding of NKP608 to bovine retina was charact

Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
ANTAGONIST
Purity
≥99%
Names and Identifiers
Canonical SmilesC1CN(C(CC1NC(=O)C2=CC=NC3=CC=CC=C23)CC4=CC=C(C=C4)Cl)C(=O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F
IUPAC NameN-[(2R,4S)-1-[3,5-bis(trifluoromethyl)benzoyl]-2-[(4-chlorophenyl)methyl]piperidin-4-yl]quinoline-4-carboxamide
InChIKeyNXLUTEDAEFXMQR-BJKOFHAPSA-N
INCHI1S/C31H24ClF6N3O2/c32-22-7-5-18(6-8-22)13-24-17-23(40-28(42)26-9-11-39-27-4-2-1-3-25(26)27)10-12-41(24)29(43)19-14-20(30(33,34)35)16-21(15-19)31(36,37)38/h1-9,11,14-16,23-24H,10,12-13,17H2,(H,40,42)/t23-,24+/m0/s1
Isomeric SMILES C1CN([C@@H](C[C@H]1NC(=O)C2=CC=NC3=CC=CC=C23)CC4=CC=C(C=C4)Cl)C(=O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F
Molecular Weight 619.98
Reaxy-Rn 13856716
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13856716&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassBenzoyl derivatives
Intermediate Tree Nodes Not available
Direct Parent1-benzoylpiperidines
Alternative Parents N-benzoylpiperidines  Quinoline carboxamides  2-benzylpiperidines  Trifluoromethylbenzenes  Pyridinecarboxylic acids and derivatives  Benzamides  Chlorobenzenes  Aryl chlorides  Tertiary carboxylic acid amides  Heteroaromatic compounds  Secondary carboxylic acid amides  Azacyclic compounds  Hydrocarbon derivatives  Organic oxides  Organochlorides  Organofluorides  Organonitrogen compounds  Alkyl fluorides  Organooxygen compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents N-benzoylpiperidine - 1-benzoylpiperidine - Benzylpiperidine - 2-benzylpiperidine - Quinoline-4-carboxamide - Trifluoromethylbenzene - Quinoline - Benzamide - Benzoic acid or derivatives - N-acyl-piperidine - Pyridine carboxylic acid or derivatives - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Piperidine - Pyridine - Tertiary carboxylic acid amide - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organofluoride - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Organonitrogen compound - Alkyl fluoride - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as 1-benzoylpiperidines. These are compounds containing a piperidine ring substituted at the 1-position with a benzoyl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TACR1 Tclin Substance-P receptor (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
MAOA Tclin Monoamine oxidase A (11911 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TACR1 Tclin Neurokinin 1 receptor (6273 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TACR1 Substance-P receptor (55 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SolubilityDMSO
Molecular Weight620.000 g/mol
XLogP37.600
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass619.146 Da
Monoisotopic Mass619.146 Da
Topological Polar Surface Area62.300 Ų
Heavy Atom Count43
Formal Charge0
Complexity950.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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