Research chemical

BS-194

CAS Number: 1092443-55-4

BS-194 molecular structure, CAS 1092443-55-4 — Chemical structure

Product details

Identity & specification

Molecular formula: C20H27N5O3
Molecular weight: 385.5 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

25125014

Exact Mass

385.21139

InChIKey

KRIWIRSMQRQYJG-DLBZAZTESA-N

IUPAC Name

(2S,3S)-3-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butane-1,2,4-triol

SMILES String

CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@H](O)CO)nc12

Physical Properties

Appearance

Powder or crystals

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

28

H-bond acceptors

8

H-bond donors

5

Rotatable bonds

9

Ring count

3

Aromatic rings

3

Topological polar surface area

114.94 Å²

Computed LogP

1.59

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

BS-194 (CAS 1092443-55-4) is maintained as a cataloged research chemical with formula C20H27N5O3, molecular weight 385. 50 g/mol, PubChem CID 25125014.

Sourcing context

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

Research use context

Use this page for identity verification, package-aware sourcing review, and RFQ preparation; structure-derived tags include nitrogen-containing heterocycle, drug-like rule profile.

Documentation needs

SDS signal word: Warning; hazard codes: H302, H315, H319; for research use only.

Applications & Classification

Package and Price Reference Supplier Catalog Sourcing Commercial Research Chemicals Heterocyclic Building BlocksResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability review

Biological target reference

ChEMBL reports experimental activity evidence for: Cyclin-dependent kinase 2 (Homo sapiens) — 2 assays; Mitogen-activated protein kinase 15 (Homo sapiens) — 3 assays; Casein kinase I isoform alpha (Homo sapiens) — 3 assays; Insulin receptor-related protein (Homo sapiens) — 3 assays; Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens) — 3 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Cyclin-dependent kinase 2

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 8.52

Experimental evidence source: ChEMBL

Mitogen-activated protein kinase 15

Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 6.48

Experimental evidence source: ChEMBL

Casein kinase I isoform alpha

Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 5.98

Experimental evidence source: ChEMBL

Insulin receptor-related protein

Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 5.75

Experimental evidence source: ChEMBL

Dual specificity tyrosine-phosphorylation-regulated kinase 1A

Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 5.68

Experimental evidence source: ChEMBL

Safety & Handling

Safety and handling reference content is available through documentation requests.

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

BS 194(2S,3S)-3-((7-(benzylamino)-3-propan-2-ylpyrazolo(1,5-a)pyrimidin-5-yl)amino)butane-1,2,4-triolBS194 cpdBS194(2S,3S)-3-((7-(benzylamino)-3-isopropylpyrazolo[1,5-a]pyrimidin-5-yl)amino)butane-1,2,4-triol

Show all synonyms

(2s,3s)-3-{[7-(Benzylamino)-3-(1-Methylethyl)pyrazolo[1,5-A]pyrimidin-5-Yl]amino}butane-1,2,4-TriolNS9compound 4k [PMID 21080703]3ns91,2,4-Butanetriol, 3-[[3-(1-methylethyl)-7-[(phenylmethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-, (2S,3S)-(2S,3S)-3-(7-(BENZYLAMINO)-3-ISOPROPYLPYRAZOLO[1,5-A]PYRIMIDIN-5-YLAMINO)BUTANE-1,2,4-TRIOL(2S,3S)-3-[[3-(1-Methylethyl)-7-[(phenylmethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1,2,4-butanetriol(2S,3S)-3-{[7-(benzylamino)-3-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino}butane-1,2,4-triol

External Identifiers

DSSTOX SUBSTANCE ID: DTXSID901109905CHEMBL ID: CHEMBL1234833WIKIDATA ID: Q27075542

Literature & Patent References

DOI 10.1016/j.ejmech.2021.113389Mechanistic selectivity investigation and 2D-QSAR study of some new antiproliferative pyrazoles and pyrazolopyridines as potential CDK2 inhibitors.PMID 33784602Mechanistic selectivity investigation and 2D-QSAR study of some new antiproliferative pyrazoles and pyrazolopyridines as potential CDK2 inhibitors.DOI 10.1016/j.bmcl.2019.126637Cyclin dependent kinase (CDK) inhibitors as anticancer drugs: Recent advances (2015-2019).PMID 31477350Cyclin dependent kinase (CDK) inhibitors as anticancer drugs: Recent advances (2015-2019).DOI 10.1021/jm100732tA novel pyrazolo[1,5-a]pyrimidine is a potent inhibitor of cyclin-dependent protein kinases 1, 2, and 9, which demonstrates antitumor effects in human tumor xenografts following oral administration.PMID 21080703A novel pyrazolo[1,5-a]pyrimidine is a potent inhibitor of cyclin-dependent protein kinases 1, 2, and 9, which demonstrates antitumor effects in human tumor xenografts following oral administration.

Documentation & Compliance Facts

Compliance Facts

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 similarityN-isobutyl-2-methyl-4-(3-methylbutyl)-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamideView related compound →Structure similarity8-(diethylamino)-1,3-dimethyl-7-(3-phenoxypropyl)-1H-purine-2,6(3H,7H)-dioneView related compound →Structure similarity2,3,4-trimethoxy-N-[(4-phenyloxan-4-yl)methyl]benzamideView related compound →Structure similarity2-((3-Morpholinopropyl)amino)-4-(naphthalen-1-ylamino)-4-oxobutanoic acidView related compound →Structure similarity2-{[3-(Morpholin-4-YL)propyl]amino}-3-[(naphthalen-2-YL)carbamoyl]propanoic acidView related compound →

Procurement notes

Sourcing context and documentation notes

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Package and specification

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Final lot confirmation

Purity, lot identity, and batch-specific documentation are confirmed before procurement decisions.

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 1092443-55-4 in stock?

BS-194 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 1092443-55-4?

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