MedKoo Cat#: 462394 | Name: DGN462

Description:

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

DGN462 is a potent DNA-alkylating agent that shows anti-tumor activity, such as acute myeloid leukemia (AML). DGN462 can be used as a cytotoxic component of antibody-drug conjugates (ADCs).

Chemical Structure

DGN462
CAS#1394079-41-4

Theoretical Analysis

MedKoo Cat#: 462394

Name: DGN462

CAS#: 1394079-41-4

Chemical Formula: C53H59N5O9S

Exact Mass: 941.4033

Molecular Weight: 942.14

Elemental Analysis: C, 67.57; H, 6.31; N, 7.43; O, 15.28; S, 3.40

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.
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Related CAS #
No Data
Synonym
DGN462; DGN-462; DGN 462
IUPAC/Chemical Name
(S)-9-((3-((2-mercapto-2-methylpropyl)(2-(2-(2-methoxyethoxy)ethoxy)ethyl)amino)-5-((((S)-8-methoxy-6-oxo-11,12,12a,13-tetrahydro-6H-benzo[5,6][1,4]diazepino[1,2-a]indol-9-yl)oxy)methyl)benzyl)oxy)-8-methoxy-12a,13-dihydro-6H-benzo[5,6][1,4]diazepino[1,2-a]indol-6-one
InChi Key
DOKWDOLZCMETIJ-ZAQUEYBZSA-N
InChi Code
InChI=1S/C53H59N5O9S/c1-53(2,68)33-56(14-15-64-18-19-65-17-16-61-3)38-21-34(31-66-49-27-43-41(25-47(49)62-4)51(59)57-39(29-54-43)23-36-10-6-8-12-45(36)57)20-35(22-38)32-67-50-28-44-42(26-48(50)63-5)52(60)58-40(30-55-44)24-37-11-7-9-13-46(37)58/h6-13,20-22,25-29,39-40,55,68H,14-19,23-24,30-33H2,1-5H3/t39-,40-/m0/s1
SMILES Code
O=C1N2[C@](CC3=C2C=CC=C3)([H])CNC4=CC(OCC5=CC(N(CC(C)(S)C)CCOCCOCCOC)=CC(COC6=C(OC)C=C7C(N8[C@](CC9=C8C=CC=C9)([H])C=NC7=C6)=O)=C5)=C(OC)C=C14
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

Preparing Stock Solutions

The following data is based on the product molecular weight 942.14 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
1: Hicks SW, Tarantelli C, Wilhem A, et al. The novel CD19-targeting antibody-drug conjugate huB4-DGN462 shows improved anti-tumor activity compared to SAR3419 in CD19-positive lymphoma and leukemia models. Haematologica. 2019;104(8):1633-1639. doi:10.3324/haematol.2018.211011