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MedKoo CAT#: 463305

CAS#: 1632051-40-1

Description: This product is removed

Chemical Structure

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This product is removed
CAS# 1632051-40-1
Instruction

Theoretical Analysis

MedKoo Cat#: 463305
Name: This product is removed
CAS#: 1632051-40-1
Chemical Formula: C25H35N3O2
Exact Mass: 409.27
Molecular Weight: 409.574
Elemental Analysis: C, 73.31; H, 8.61; N, 10.26; O, 7.81

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

Request quote for custom synthesis

Synonym: This product is removed

IUPAC/Chemical Name: 1-(2-((3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl)-1H-pyrazole-4-carbonitrile

InChi Key: HARRKNSQXBRBGZ-GVKWWOCJSA-N

InChi Code: InChI=1S/C25H35N3O2/c1-24(30)9-7-18-17(11-24)3-4-20-19(18)8-10-25(2)21(20)5-6-22(25)23(29)15-28-14-16(12-26)13-27-28/h13-14,17-22,30H,3-11,15H2,1-2H3/t17-,18+,19-,20-,21+,22-,24-,25+/m1/s1

SMILES Code: C[C@]12[C@]([H])([C@]3([C@@]([H])([C@@]4([C@]([H])(CC3)C[C@](CC4)(C)O)[H])CC2)[H])CC[C@@H]1C(CN5C=C(C#N)C=N5)=O

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >3 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 409.57 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
In vitro protocol:
In vivo protocol:

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6: Hoffmann E, Nomikos GG, Kaul I, Raines S, Wald J, Bullock A, Sankoh AJ, Doherty J, Kanes SJ, Colquhoun H. SAGE-217, A Novel GABAA Receptor Positive Allosteric Modulator: Clinical Pharmacology and Tolerability in Randomized Phase I Dose-Finding Studies. Clin Pharmacokinet. 2020 Jan;59(1):111-120. doi: 10.1007/s40262-019-00801-0. PMID: 31338688; PMCID: PMC6994455.

7: Ragguett RM, Tamura JK, McIntyre RS. Keeping up with the clinical advances: depression. CNS Spectr. 2019 Aug;24(S1):25-37. doi: 10.1017/S1092852919001159. Erratum in: CNS Spectr. 2019 Aug;24(S1):84. PMID: 31248466.

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9: Wilkinson ST, Sanacora G. A new generation of antidepressants: an update on the pharmaceutical pipeline for novel and rapid-acting therapeutics in mood disorders based on glutamate/GABA neurotransmitter systems. Drug Discov Today. 2019 Feb;24(2):606-615. doi: 10.1016/j.drudis.2018.11.007. Epub 2018 Nov 14. PMID: 30447328; PMCID: PMC6397075.

10: Martinez Botella G, Salituro FG, Harrison BL, Beresis RT, Bai Z, Blanco MJ, Belfort GM, Dai J, Loya CM, Ackley MA, Althaus AL, Grossman SJ, Hoffmann E, Doherty JJ, Robichaud AJ. Neuroactive Steroids. 2. 3α-Hydroxy-3β-methyl-21-(4-cyano-1H-pyrazol-1'-yl)-19-nor-5β-pregnan-20-one (SAGE-217): A Clinical Next Generation Neuroactive Steroid Positive Allosteric Modulator of the (γ-Aminobutyric Acid)A Receptor. J Med Chem. 2017 Sep 28;60(18):7810-7819. doi: 10.1021/acs.jmedchem.7b00846. Epub 2017 Aug 17. PMID: 28753313.

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12: Bialer M, Johannessen SI, Levy RH, Perucca E, Tomson T, White HS. Progress report on new antiepileptic drugs: A summary of the Twelfth Eilat Conference (EILAT XII). Epilepsy Res. 2015 Mar;111:85-141. doi: 10.1016/j.eplepsyres.2015.01.001. Epub 2015 Jan 19. PMID: 25769377.