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SML3025

BAY-784

≥98% (HPLC)

Synonym(s):

BAY-784, (2S)-N-[[3-Chloro-5-(trifluoromethyl)-2-pyridyl]methyl]-2-cyclopropyl-1-(4-fluorophenyl)sulfonyl-1′,1′-dioxo-spiro[indoline-3,4′-thiane]-5-carboxamide, (2S)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-cyclopropyl-1-[(4-fluorophenyl)sulfonyl]-1,2,2?,3?,5?,6?-hexahydro-spiro[3H-indole-3,4?-[4H]thiopyran]-5-carboxamide 1?,1?-dioxide, BAY 1214784, BAY-1214784

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About This Item

Empirical Formula (Hill Notation):
C29H26ClF4N3O5S2
CAS Number:
1631164-24-3
Molecular Weight:
672.11
UNSPSC Code:
12352200
NACRES:
NA.77
Assay:
≥98% (HPLC)
Form:
powder
Quality level:
100
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Quality Level

100

assay

≥98% (HPLC)

form

powder

optical activity

[α]/D -120 to -100°, c = 0.5 in chloroform-d

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

2-8°C

SMILES string

O=S(CCC1(C2=C(N3S(C4=CC=C(F)C=C4)(=O)=O)C=CC(C(NCC5=C(Cl)C=C(C(F)(F)F)C=N5)=O)=C2)[C@@H]3C6CC6)(CC1)=O

InChI

1S/C29H26ClF4N3O5S2/c30-23-14-19(29(32,33)34)15-35-24(23)16-36-27(38)18-3-8-25-22(13-18)28(9-11-43(39,40)12-10-28)26(17-1-2-17)37(25)44(41,42)21-6-4-20(31)5-7-21/h3-8,13-15,17,26H,1-2,9-12,16H2,(H,36,38)/t26-/m0/s1

InChI key

PZGSYNNVPNLHQG-SANMLTNESA-N

Biochem/physiol Actions

BAY-784 is an orally available, non-toxic, potent, and selective antagonist of human Gonadotropin-Releasing Hormone Receptor [hGnRH-R], which is potently active in other species including rate, dogs and cynomolgus monkey. It partially lowered plasma luteinizing hormone levels in humans. BAY-784 exhibits favorable drug metabolism and pharmacokinetic (DMPK) profile thus is suitable for in vivo studies.
orally available, non-toxic, potent, and selective antagonist of human Gonadotropin-Releasing Hormone Receptor [hGnRH-R]

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
0000128598
0000128599
0000125587

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Olaf Panknin et al.
Journal of medicinal chemistry, 63(20), 11854-11881 (2020-09-23)
The growth of uterine fibroids is sex hormone-dependent and commonly associated with highly incapacitating symptoms. Most treatment options consist of the control of these hormonal effects, ultimately blocking proliferative estrogen signaling (i.e., oral contraceptives/antagonization of human gonadotropin-releasing hormone receptor [hGnRH-R]

Global Trade Item Number

SKUGTIN
SML3025-25MG04065265952835
SML3025-5MG04065265952842

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