Research chemical

LPA2 antagonist 1

CAS Number: 1017606-66-4

LPA2 antagonist 1 molecular structure, CAS 1017606-66-4 — Chemical structure

Product details

Identity & specification

Molecular formula: C20H23Cl2N5O2S2
Molecular weight: 500.5 g/mol
Product type: Research-use catalog compound
Documentation: COA / SDS available by request

For laboratory research and professional procurement workflows.

Technical identifiers

Show PubChem, InChIKey, IUPAC, and SMILES

PubChem CID

24882686

Exact Mass

499.067023

InChIKey

BPRNMVDTWIHULJ-AWEZNQCLSA-N

IUPAC Name

N-[(2S)-1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]propan-2-yl]-7-methylthieno[3,2-d]pyrimidin-4-amine

SMILES String

Cc1csc2c(N[C@@H](C)CN3CCN(S(=O)(=O)c4ccc(Cl)c(Cl)c4)CC3)ncnc12

Physical Properties

No physical property values available.

Show more physical data

XLogP

4.3

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Computed Structure Descriptors

Show calculated structure fields

Heavy atom count

31

H-bond acceptors

7

H-bond donors

1

Rotatable bonds

6

Ring count

4

Aromatic rings

3

Topological polar surface area

78.43 Å²

Computed LogP

4.11

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.

Catalog Facts

Structural features

LPA2 antagonist 1 (CAS 1017606-66-4) is listed in the Research Chemicals portfolio, with molecular formula C20H23Cl2N5O2S2 and molecular weight 500. 50 g/mol.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Intended for laboratory research workflows; structure-derived tags include nitrogen-containing heterocycle.

Documentation needs

SDS signal word: Warning; hazard codes: H302; For research use only.

Applications & Classification

Organic Building Blocks Synthetic Chemistry Heterocyclic Building Blocks Research Chemical SourcingResearch intermediateCustom synthesis building blockCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow

Biological target reference

ChEMBL reports experimental activity evidence for: Lysophosphatidic acid receptor 2 (Homo sapiens) — 3 assays; Lysophosphatidic acid receptor 2 (Mus musculus) — 2 assays; Kappa-type opioid receptor (Homo sapiens) — 2 assays; D(3) dopamine receptor (Homo sapiens) — 2 assays; G-protein coupled receptor 35 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Lysophosphatidic acid receptor 2

Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 3 documents · best pChEMBL 7.77

Experimental evidence source: ChEMBL

Lysophosphatidic acid receptor 2

Mus musculus · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 6.53

Experimental evidence source: ChEMBL

Kappa-type opioid receptor

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 6.31

Experimental evidence source: ChEMBL

D(3) dopamine receptor

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 6.24

Experimental evidence source: ChEMBL

G-protein coupled receptor 35

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 6.22

Experimental evidence source: ChEMBL

Safety & Handling

PPE

Respiratory protection if needed

First Aid

Do not give anything to an unconscious person.
Rinse mouth with water.

Stability / Reactivity

and reaction activity.
carbon monoxide, carbon dioxide, hydrogen chloride, nitrogen oxides, sulfur oxides.

Disposal

The remaining and non-recyclable solution should be handed over to a licensed company for disposal.
Contact a professional institution with a waste disposal license to handle this substance.

Show additional safety reference fields

Fire Fighting

Use self-contained breathing apparatus if necessary.

Accidental Release

Do not generate dust when collecting and disposing.
Sweep and shovel up.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Preliminary Safety Reference

For supplier-issued SDS or COA, submit a documentation request.

Safety Reference / SDS Request

Synonyms & references

Names & Synonyms

Thieno[3,2-d]pyriMidin-4-aMine, N-[(1S)-2-[4-[(3,4-dichlorophenyl)sulfonyl]-1-piperazinyl]-1-Methylethyl]-7-Methyl-(S)-{2-[4-(3,4-Dichloro-benzenesulfonyl)-piperazin-1-yl]-1-methyl-ethyl}-(7-methyl-thieno[3,2-d]pyrimidin-4-yl)-amine(S)-N-(1-(4-((3,4-Dichlorophenyl)sulfonyl)piperazin-1-yl)propan-2-yl)-7-methylthieno[3,2-d]pyrimidin-4-amineLPA2-antagonist-1C20H23Cl2N5O2S2

Show all synonyms

N-[(2S)-1-[4-(3,4-dichlorobenzenesulfonyl)piperazin-1-yl]propan-2-yl]-7-methylthieno[3,2-d]pyrimidin-4-amineN-[(2S)-1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]propan-2-yl]-7-methyl-thieno[3,2-d]pyrimidin-4-amine

External Identifiers

CHEMBL ID: CHEMBL256470PUBCHEM CID: 24882686

Literature & Patent References

DOI 10.6019/CHEMBL5442175EUbOPEN Chemogenomics Library - PDSP Secondary Binding DOI 10.6019/CHEMBL5442219EUbOPEN Chemogenomics Library - PDSP Primary Binding DOI 10.6019/CHEMBL5442687EUbOPEN Chemogenomics Library - GPCR Dose-Respose DOI 10.6019/CHEMBL5665443Enzyme Inhibitor Single Concentration assay results for EUbOPEN Chemogenomics Library DOI 10.6019/CHEMBL5724696Autophagy assay results for EUbOPEN Chemogenomics Library DOI 10.1016/j.ejmech.2023.115762Emerging opportunities to treat idiopathic pulmonary fibrosis: Design, discovery, and optimizations of small-molecule drugs targeting fibrogenic pathways.DOI 10.1021/acs.jmedchem.2c02087Discovery of a Potent, Selective, and Orally Bioavailable Tool Compound for Probing the Role of Lysophosphatidic Acid Type 2 Receptor Antagonists in Fibrotic Disorders.DOI 10.6019/CHEMBL5209801GPCR results for EUbOPEN Chemogenomics Library 3

Documentation & Compliance Facts

Compliance Facts

Signal word: Warning

Supplier SDS reference cue; confirm supplier documentation before use.

Hazard statements: H302

Supplier SDS hazard code reference; confirm full text in supplier documentation.

Precautionary statements: P280, P305+P351+P338

Supplier SDS precautionary code reference; confirm full text in supplier documentation.

Shipment review: Required

Documentation available by request

Certificate of Analysis (COA): By request

Supplier Safety Data Sheet (SDS): By request

Purity and pack size confirmation: By request

Availability and lead time review: Confirmed by RFQ

Shipment documentation review: By request

For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference

What happens after RFQ

1We review the CAS identity, quantity, and documentation request.
2We check sourcing options, supplier availability, COA/SDS, purity, pack size, and lead time.
3We review destination and shipment documentation needs when applicable.
4We follow up with a quotation or clarification request.

Text Reference Cues

Additional text reference cues are not available for this catalog entry.

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

Catalog navigation

Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.

Structure similarity1-ethyl-N-(2-methylpropyl)-4-[({5-[(pentafluorophenoxy)methyl]furan-2-yl}carbonyl)amino]-1H-pyrazole-3-carboxamideView related compound →Structure similarity1-[(2-Chloro-6-fluorophenyl)methyl]-3,5-bis(3,4-dichlorophenyl)-1H-pyrazoleView related compound →Structure similarity(3S,3'aR,8'aS,8'bS)-2'-(2-bromophenyl)-6-chloro-7-methylspiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trioneView related compound →Structure similarityN-(4-bromo-2-fluorophenyl)-2-{[5-(4-chloro-1-ethyl-1H-pyrazol-3-yl)-4-cyclopropyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamideView related compound →Structure similarityC21H17Cl3N2O6View related compound →

Procurement notes

Sourcing context and documentation notes

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Package and specification

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Final lot confirmation

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Supply documentation

Supplier-issued COA and SDS can be requested before handling, storage, shipment, or procurement decisions.

Quotation review

Final quote depends on quantity, lead time, destination, and supplier confirmation.

Procurement questions

Is CAS 1017606-66-4 in stock?

LPA2 antagonist 1 is in stock. Estimated delivery: 5–9 business days. Submit an RFQ to confirm final price, lot specification, documentation, and destination-specific shipping terms.

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Can MolGraph provide COA or SDS for CAS 1017606-66-4?

Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.