W-3-8 | CAS#unknown | W-105 prodrug

MedKoo Cat#: 465939 | Name: W-3-8

Description:

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

W-3-8 is a novel tridentate-galactose prodrug of W-105, releasing the antitumor pharmacophore in the presence of GSH (mimic the condition of the tumor cell) and maintaining the low-toxic structures in the absence of GSH (mimic the condition of the normal cell).

Chemical Structure

W-3-8

CAS#unknown

Theoretical Analysis

MedKoo Cat#: 465939

Name: W-3-8

CAS#: unknown

Chemical Formula: C71H96N16O24S2

Exact Mass: 1620.6225

Molecular Weight: 1621.76

Elemental Analysis: C, 52.58; H, 5.97; N, 13.82; O, 23.68; S, 3.95

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

W-3-8; W-3-8; W-3-8; W-3-8; W-3-8; W-3-8; W-3-8;

IUPAC/Chemical Name

6-oxo-1-(1-((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-1H-1,2,3-triazol-4-yl)-4,4-bis(((1-((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-1H-1,2,3-triazol-4-yl)methoxy)methyl)-2,7-dioxa-10,11-dithia-5-azatridecan-13-yl 4-(2-((1-(2-((1R,3S,4S)-4-methyl-3-(prop-1-en-2-yl)-4-vinylcyclohexyl)allyl)-1H-1,2,3-triazol-4-yl)methyl)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin-6-yl)piperazine-1-carboxylate

InChi Key

NKZRLURBDIHLRV-AQUSRDLYSA-N

InChi Code

InChI=1S/C71H96N16O24S2/c1-6-70(5)13-12-40(22-48(70)38(2)3)39(4)23-83-24-41(73-77-83)25-84-63(100)46-9-7-8-45-49(11-10-47(53(45)46)64(84)101)81-14-16-82(17-15-81)69(103)108-19-21-113-112-20-18-107-68(102)72-71(35-104-32-42-26-85(78-74-42)65-60(97)57(94)54(91)50(29-88)109-65,36-105-33-43-27-86(79-75-43)66-61(98)58(95)55(92)51(30-89)110-66)37-106-34-44-28-87(80-76-44)67-62(99)59(96)56(93)52(31-90)111-67/h6-11,24,26-28,40,48,50-52,54-62,65-67,88-99H,1-2,4,12-23,25,29-37H2,3,5H3,(H,72,102)/t40-,48+,50-,51-,52-,54+,55+,56+,57+,58+,59+,60-,61-,62-,65-,66-,67-,70-/m1/s1

SMILES Code

O=C(N1CCN(C2=CC=C(C3=C4C=CC=C32)C(N(CC5=CN(CC([C@H]6C[C@@H](C(C)=C)[C@@](C=C)(C)CC6)=C)N=N5)C4=O)=O)CC1)OCCSSCCOC(NC(COCC7=CN([C@H]8[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O8)N=N7)(COCC9=CN([C@H]%10[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O%10)N=N9)COCC%11=CN([C@H]%12[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O%12)N=N%11)=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

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 1,621.76 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: Wang M, Li Z, Liu F, Yi Q, Pu C, Li Y, Luo T, Liang J, Wang J. Development of Asialoglycoprotein-Mediated Hepatocyte-Targeting Antitumor Prodrugs Triggered by Glutathione. J Med Chem. 2021 Oct 14;64(19):14793-14808. doi: 10.1021/acs.jmedchem.1c01365. Epub 2021 Oct 1. PMID: 34595917.