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

MedKoo CAT#: 408166

CAS#: Unknown

Description: XWN01146, is a Doxorubicin-derivative with a NHS-C4-Val-Cit-PAB linker. The Val-Cit-PAB moiety is a cathepsin cleavable ADC peptide linker. SSN01118 can be used to conjugate with other molecules such as peptides, proteins, antibodies or enzymes, or polymers. XWN01146 is a useful agent to make Doxorubicin-conjugate for drug delivery, nanodrug research. This product has no formal name at the moment. For the convenience of communication, a temporal code name was therefore proposed according to MedKoo Chemical Nomenclature (see web page: https://www.medkoo.com/page/naming).

Chemical Structure

CAS# Unknown

Theoretical Analysis

MedKoo Cat#: 408166
Name: XWN01146
CAS#: Unknown
Chemical Formula: C54H63N7O21
Exact Mass: 1145.4077
Molecular Weight: 1146.126
Elemental Analysis: C, 56.59; H, 5.54; N, 8.55; O, 29.31

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.

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Synonym: XWN01146; XWN-01146; XWN 01146; NHS-C4-Val-Cit-PAB-doxorubicin;

IUPAC/Chemical Name: 4-((R)-2-((R)-2-(3-((2,5-dioxopyrrolidin-1-yl)oxy)propanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl ((2S,3S,4S,6R)-3-hydroxy-2-methyl-6-(((1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl)oxy)tetrahydro-2H-pyran-4-yl)carbamate


InChi Code: InChI=1S/C54H63N7O21/c1-24(2)44(60-35(64)14-17-38(67)82-61-36(65)15-16-37(61)66)51(74)58-30(8-6-18-56-52(55)75)50(73)57-27-12-10-26(11-13-27)23-79-53(76)59-31-19-39(80-25(3)45(31)68)81-33-21-54(77,34(63)22-62)20-29-41(33)49(72)43-42(47(29)70)46(69)28-7-5-9-32(78-4)40(28)48(43)71/h5,7,9-13,24-25,30-31,33,39,44-45,62,68,70,72,77H,6,8,14-23H2,1-4H3,(H,57,73)(H,58,74)(H,59,76)(H,60,64)(H3,55,56,75)/t25-,30+,31-,33-,39-,44+,45+,54-/m0/s1

SMILES Code: O=C1CCC(N1OC(CCC(N[C@@H](C(N[C@H](CCCNC(N)=O)C(NC2=CC=C(COC(N[C@H]3C[C@@H](O[C@@H](C)[C@H]3O)O[C@H]4C[C@@](O)(CC5=C(C(C(C6=CC=CC(OC)=C67)=O)=C(C(O)=C54)C7=O)O)C(CO)=O)=O)C=C2)=O)=O)C(C)C)=O)=O)=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

Preparing Stock Solutions

The following data is based on the product molecular weight 1146.126 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

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