Research chemical
CAS Number: 100827-28-9
Product details
For laboratory research and professional procurement workflows.
PubChem CID
5328552
Exact Mass
179.058243
InChIKey
SIHZWGODIRRSRA-ONEGZZNKSA-N
IUPAC Name
N-[(E)-2-(2,5-dihydroxyphenyl)ethenyl]formamide
SMILES String
O=CN/C=C/c1cc(O)ccc1O
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.
Erbstatin is identified by CAS 100827-28-9, with molecular formula C9H9NO3, molecular weight 179.17, InChIKey SIHZWGODIRRSRA-ONEGZZNKSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Epidermal growth factor receptor, Pyruvate kinase, Tyrosyl-DNA phosphodiesterase 1, Pyruvate kinase PKM, Nuclear receptor ROR-gamma. 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.
XLogP
0.8
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
13
H-bond acceptors
4
H-bond donors
3
Rotatable bonds
3
Ring count
1
Aromatic rings
1
Topological polar surface area
69.56 Ų
Computed LogP
0.81
Fragment-like structure rule
Yes
Lead-like structure rule
Yes
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
Erbstatin (CAS 100827-28-9) is listed in the Life Science portfolio, with molecular formula C9H9NO3 and molecular weight 179. 17 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for life-science research and analytical workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
Consult the supplier SDS before handling; For research use only.
ChEMBL reports experimental activity evidence for: Epidermal growth factor receptor (Homo sapiens) — 6 assays; Pyruvate kinase (Leishmania mexicana) — 3 assays; Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens) — 3 assays; Pyruvate kinase PKM (Homo sapiens) — 2 assays; Nuclear receptor ROR-gamma (Mus musculus) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Epidermal growth factor receptor
Homo sapiens · SINGLE PROTEIN · 6 qualifying assays · 5 documents · best pChEMBL 5.7
Experimental evidence source: ChEMBL
Pyruvate kinase
Leishmania mexicana · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 5.35
Experimental evidence source: ChEMBL
Tyrosyl-DNA phosphodiesterase 1
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 5.1
Experimental evidence source: ChEMBL
Pyruvate kinase PKM
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5
Experimental evidence source: ChEMBL
Nuclear receptor ROR-gamma
Mus musculus · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.95
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.