W104
WIN 62,577
solid
Synonym(s):
17-β-Hydroxy-17-α-ethynyl-δ-4-androstano[3,2-b]pyrimido[1,2-a]benzimidazole
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About This Item
Empirical Formula (Hill Notation):
C29H31N3O
CAS Number:
Molecular Weight:
437.58
NACRES:
NA.77
PubChem Substance ID:
UNSPSC Code:
12352200
MDL number:
Form:
solid
Quality level:
form
solid
Quality Level
color
yellow
solubility
ethanol: 1.4 mg/mL, DMSO: 4 mg/mL, H2O: insoluble
storage temp.
−20°C
SMILES string
[H][C@@]12CCC3=Cc4nc5nc6ccccc6n5cc4C[C@]3(C)[C@@]1([H])CC[C@@]7(C)[C@@]2([H])CC[C@@]7(O)C#C
InChI
1S/C29H31N3O/c1-4-29(33)14-12-22-20-10-9-19-15-24-18(16-27(19,2)21(20)11-13-28(22,29)3)17-32-25-8-6-5-7-23(25)30-26(32)31-24/h1,5-8,15,17,20-22,33H,9-14,16H2,2-3H3/t20-,21+,22+,27+,28+,29+/m1/s1
InChI key
YBCYJDNOPAFFOW-XOAARHKISA-N
Gene Information
human ... TACR1(6869)
rat ... Tacr1(24807)
Biochem/physiol Actions
Non-peptide NK1 tachykinin receptor antagonist.
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
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B R Venepalli et al.
Journal of medicinal chemistry, 35(2), 374-378 (1992-01-24)
Several heterosteroids containing a dihydroethisterone skeleton were prepared and shown to displace substance P in a receptor binding assay. Further biochemical (kinetic and Scatchard analyses) and pharmacological evaluation (substance P-induced plasma extravasation and salivation in the rat) of a representative
K C Appell et al.
Molecular pharmacology, 41(4), 772-778 (1992-04-01)
125I-Bolton-Hunter-substance P (125I-BH-SP) binding properties of three novel classes of neurokinin-1 (NK-1) receptor antagonists were investigated in tissues derived from humans, guinea pigs, and rats. 125I-BH-SP was shown to bind to a single class of binding sites, with similar dissociation
Global Trade Item Number
| SKU | GTIN |
|---|---|
| W104-25MG | 04061832900773 |
| W104-5MG | 04061832900780 |