DXD
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MedKoo CAT#: 207107

CAS#: 1599440-33-1

Description: DXD is an Exatecan derivative and topoisomerase I inhibitor. DXD can be used to make antibody drug conjugate such as Trastuzumab Deruxtecan (DS-8201a).


Chemical Structure

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DXD
CAS# 1599440-33-1

Theoretical Analysis

MedKoo Cat#: 207107
Name: DXD
CAS#: 1599440-33-1
Chemical Formula: C26H24FN3O6
Exact Mass: 493.16
Molecular Weight: 493.491
Elemental Analysis: C, 63.28; H, 4.90; F, 3.85; N, 8.52; O, 19.45

Price and Availability

Size Price Availability Quantity
5mg USD 250 2 Weeks
10mg USD 450 2 Weeks
25mg USD 750 2 Weeks
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Synonym: DXD; Exatecan derivative; DX-8951 derivative; DX-8951; DX8951; Trastuzumab Deruxtecan (DS-8201a)

IUPAC/Chemical Name: N-((1S,9S)-9-Ethyl-5-fluoro-2,3,9,10,13,15-hexahydro-9-hydroxy-4-methyl-10,13-dioxo-1H,12H-benzo(de)pyrano(3',4':6,7)indolizino(1,2-b)quinolin-1-yl)-2-hydroxyacetamide

InChi Key: PLXLYXLUCNZSAA-QLXKLKPCSA-N

InChi Code: InChI=1S/C26H24FN3O6/c1-3-26(35)15-6-19-23-13(8-30(19)24(33)14(15)10-36-25(26)34)22-17(28-20(32)9-31)5-4-12-11(2)16(27)7-18(29-23)21(12)22/h6-7,17,31,35H,3-5,8-10H2,1-2H3,(H,28,32)/t17-,26-/m0/s1

SMILES Code: O=C(N[C@H]1CCC2=C3C1=C(CN4C(C(COC([C@@]5(CC)O)=O)=C5C=C46)=O)C6=NC3=CC(F)=C2C)CO

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:

Product Data:
Safety Data Sheet (SDS):
Biological target: Dxd (Exatecan derivative for ADC) is a potent DNA topoisomerase I inhibitor, with an IC50 of 0.31 μM, used as a conjugated drug of HER2-targeting ADC (DS-8201a).
In vitro activity: TBD
In vivo activity: TBD

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 40.0 81.06

Preparing Stock Solutions

The following data is based on the product molecular weight 493.49 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: TBD
In vitro protocol: TBD
In vivo protocol: TBD

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1: Iwata TN, Ishii C, Ishida S, Ogitani Y, Wada T, Agatsuma T. A HER2-Targeting
Antibody-Drug Conjugate, Trastuzumab Deruxtecan (DS-8201a), Enhances Antitumor
Immunity in a Mouse Model. Mol Cancer Ther. 2018 Jul;17(7):1494-1503. doi:
10.1158/1535-7163.MCT-17-0749. Epub 2018 Apr 27. PubMed PMID: 29703841.


2: Takegawa N, Nonagase Y, Yonesaka K, Sakai K, Maenishi O, Ogitani Y, Tamura T,
Nishio K, Nakagawa K, Tsurutani J. DS-8201a, a new HER2-targeting antibody-drug
conjugate incorporating a novel DNA topoisomerase I inhibitor, overcomes
HER2-positive gastric cancer T-DM1 resistance. Int J Cancer. 2017 Oct
15;141(8):1682-1689. doi: 10.1002/ijc.30870. Epub 2017 Jul 12. PubMed PMID:
28677116.


3: Ogitani Y, Abe Y, Iguchi T, Yamaguchi J, Terauchi T, Kitamura M, Goto K, Goto
M, Oitate M, Yukinaga H, Yabe Y, Nakada T, Masuda T, Morita K, Agatsuma T. Wide
application of a novel topoisomerase I inhibitor-based drug conjugation
technology. Bioorg Med Chem Lett. 2016 Oct 15;26(20):5069-5072. doi:
10.1016/j.bmcl.2016.08.082. Epub 2016 Aug 27. PubMed PMID: 27599744.


4: Ogitani Y, Hagihara K, Oitate M, Naito H, Agatsuma T. Bystander killing effect
of DS-8201a, a novel anti-human epidermal growth factor receptor 2 antibody-drug
conjugate, in tumors with human epidermal growth factor receptor 2 heterogeneity.
Cancer Sci. 2016 Jul;107(7):1039-46. doi: 10.1111/cas.12966. Epub 2016 Jun 22.
PubMed PMID: 27166974; PubMed Central PMCID: PMC4946713.