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W104

Sigma-Aldrich

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:
138091-43-7
Molecular Weight:
437.58
MDL number:
MFCD00153883
UNSPSC Code:
12352200
PubChem Substance ID:
24278780
NACRES:
NA.77

form

solid

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 Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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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

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