PD-163639 | CAS#192505-93-4 | sulfate metabolite

MedKoo Cat#: 145510 | Name: PD-163639

Description:

WARNING: This product is for research use only, not for human or veterinary use.

PD-163639 is a sulfate metabolite.

Chemical Structure

PD-163639

CAS#192505-93-4

Theoretical Analysis

MedKoo Cat#: 145510

Name: PD-163639

CAS#: 192505-93-4

Chemical Formula: C24H27NO5S

Exact Mass: 441.1600

Molecular Weight: 441.54

Elemental Analysis: C, 65.29; H, 6.16; N, 3.17; O, 18.12; S, 7.26

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

Bulk Inquiry

Related CAS #

No Data

Synonym

PD-163639; PD163639; PD 163639;

IUPAC/Chemical Name

(R)-3'-((4-(4-hydroxyphenyl)-3,6-dihydropyridin-1(2H)-yl)methyl)-2',3',4',5'-tetrahydro-[1,1'-biphenyl]-4-yl hydrogen sulfate

InChi Key

NAPKHHDHKWJLMQ-GOSISDBHSA-N

InChi Code

1S/C24H27NO5S/c26-23-8-4-19(5-9-23)21-12-14-25(15-13-21)17-18-2-1-3-22(16-18)20-6-10-24(11-7-20)30-31(27,28)29/h3-12,18,26H,1-2,13-17H2,(H,27,28,29)/t18-/m1/s1

SMILES Code

OC1=CC=C(C=C1)C2=CCN(C[C@@H]3CCC=C(C3)C4=CC=C(OS(O)(=O)=O)C=C4)CC2

Appearance

To be determined

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

To be determined

Shelf Life

>2 years if stored properly

Drug Formulation

To be determined

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 441.54 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.

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

1: Feng MR, Loo J, Wright J. Disposition of the antipsychotic agent CI-1007 in rats, monkeys, dogs, and human cytochrome P450 2D6 extensive metabolizers. Species comparison and allometric scaling. Drug Metab Dispos. 1998 Oct;26(10):982-8. PMID: 9763403. 2: Feng MR, Atherton J, Knoll S, Strenkoski CA, Wright DS. Determination of two CI-1007 sulfate metabolites in monkey plasma and urine. J Chromatogr B Biomed Sci Appl. 1997 May 23;693(1):159-66. doi: 10.1016/s0378-4347(97)00015-7. PMID: 9200530.