Research chemical
CAS Number: 110101-66-1
Product details
For laboratory research and professional procurement workflows.
PubChem CID
104903
Exact Mass
624.415175
InChIKey
RBKASMJPSJDQKY-RBFSKHHSSA-N
IUPAC Name
(8S,10S,13S,14S,16R,17S)-17-[2-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]-10,13,16-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
SMILES String
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3=CC[C@@]2([C@H]1C(=O)CN5CCN(CC5)C6=NC(=NC(=C6)N7CCCC7)N8CCCC8)C)C
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.
Tirilazad is identified by CAS 110101-66-1, with molecular formula C38H52N6O2, molecular weight 624.9, InChIKey RBKASMJPSJDQKY-RBFSKHHSSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Prostaglandin G/H synthase 1, 5-hydroxytryptamine receptor 2B, Alpha-1A adrenergic receptor, Muscarinic acetylcholine receptor M1, Thromboxane A2 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.
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
46
H-bond acceptors
8
H-bond donors
0
Rotatable bonds
6
Ring count
8
Aromatic rings
1
Topological polar surface area
72.88 Ų
Computed LogP
5.46
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
Tirilazad (CAS 110101-66-1) is maintained as a commercial cas reference with formula C38H52N6O2, molecular weight 624. 90 g/mol, PubChem CID 104903.
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: Prostaglandin G/H synthase 1 (Homo sapiens) — 2 assays; 5-hydroxytryptamine receptor 2B (Homo sapiens) — 2 assays; Alpha-1A adrenergic receptor (Homo sapiens) — 2 assays; Muscarinic acetylcholine receptor M1 (Homo sapiens) — 2 assays; Thromboxane A2 receptor (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Prostaglandin G/H synthase 1
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.51
Experimental evidence source: ChEMBL
5-hydroxytryptamine receptor 2B
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 4.93
Experimental evidence source: ChEMBL
Alpha-1A adrenergic receptor
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
Muscarinic acetylcholine receptor M1
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
Thromboxane A2 receptor
Homo sapiens · SINGLE PROTEIN · 2 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.