Research chemical
CAS Number: 113158-35-3
Product details
For laboratory research and professional procurement workflows.
PubChem CID
119192
Exact Mass
586.198298
InChIKey
DYLJVOXRWLXDIG-UHFFFAOYSA-N
IUPAC Name
2-[[1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid
SMILES String
COC1=C(C(=CC=C1)OC)C2=CC(=NN2C3=C4C=CC(=CC4=NC=C3)Cl)C(=O)NC5(C6CC7CC(C6)CC5C7)C(=O)O
No physical property values available.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
Meclinertant is identified by CAS 113158-35-3, with molecular formula C32H31ClN4O5, molecular weight 587.1, InChIKey DYLJVOXRWLXDIG-UHFFFAOYSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Neurotensin receptor type 1, Neurotensin receptor type 1, Neurotensin receptor type 2, Adhesion G-protein coupled receptor F1, Alpha-2A adrenergic receptor. These records do not establish therapeutic efficacy or clinical use.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
42
H-bond acceptors
9
H-bond donors
2
Rotatable bonds
7
Ring count
8
Aromatic rings
4
Topological polar surface area
115.57 Ų
Computed LogP
5.77
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
Meclinertant (CAS 113158-35-3) is maintained as a commercial cas reference with formula C32H31ClN4O5, molecular weight 587. 10 g/mol, PubChem CID 119192.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle, drug-like rule profile.
Documentation needs
Review supplier documentation before handling; for research use only.
ChEMBL reports experimental activity evidence for: Neurotensin receptor type 1 (Homo sapiens) — 12 assays; Neurotensin receptor type 1 (Rattus norvegicus) — 3 assays; Neurotensin receptor type 2 (Rattus norvegicus) — 3 assays; Adhesion G-protein coupled receptor F1 (Homo sapiens) — 3 assays; Alpha-2A adrenergic receptor (Homo sapiens) — 3 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Neurotensin receptor type 1
Homo sapiens · SINGLE PROTEIN · 12 qualifying assays · 5 documents · best pChEMBL 9
Experimental evidence source: ChEMBL
Neurotensin receptor type 1
Rattus norvegicus · SINGLE PROTEIN · 3 qualifying assays · 3 documents · best pChEMBL 8.59
Experimental evidence source: ChEMBL
Neurotensin receptor type 2
Rattus norvegicus · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 7.21
Experimental evidence source: ChEMBL
Adhesion G-protein coupled receptor F1
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
Alpha-2A adrenergic receptor
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.