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MedKoo Cat#: 413961 | Name: Duocarmazine

Description:

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

Duocarmazine also known as SYD985, is a novel HER2-targeting antibody–drug conjugate used in the treatment of cancer.

Chemical Structure

Duocarmazine
Duocarmazine
CAS#1345681-58-4

Theoretical Analysis

MedKoo Cat#: 413961

Name: Duocarmazine

CAS#: 1345681-58-4

Chemical Formula: C65H75ClN12O17

Exact Mass: 1330.5062

Molecular Weight: 1331.83

Elemental Analysis: C, 58.62; H, 5.68; Cl, 2.66; N, 12.62; O, 20.42

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
Duocarmazine; SYD 985; SYD-985; SYD985
IUPAC/Chemical Name
4-((2S,5S)-13-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-5-isopropyl-4,7-dioxo-2-(3-ureidopropyl)-8,11-dioxa-3,6-diazatridecanamido)benzyl (2-(((((S)-1-(chloromethyl)-3-(6-(4-hydroxybenzamido)imidazo[1,2-a]pyridine-2-carbonyl)-9-methyl-2,3-dihydro-1H-benzo[e]indol-5-yl)oxy)carbonyl)(2-(2-hydroxyethoxy)ethyl)amino)ethyl)(methyl)carbamate
InChi Key
RFQYSAASDBNNDZ-UCGHAGIGSA-N
InChi Code
InChI=1S/C65H75ClN12O17/c1-39(2)57(73-63(88)93-32-31-92-29-26-77-53(81)20-21-54(77)82)60(85)72-48(9-6-22-68-62(67)87)59(84)69-44-14-10-41(11-15-44)38-94-64(89)74(4)23-24-75(25-28-91-30-27-79)65(90)95-51-33-50-56(55-40(3)7-5-8-47(51)55)43(34-66)35-78(50)61(86)49-37-76-36-45(16-19-52(76)71-49)70-58(83)42-12-17-46(80)18-13-42/h5,7-8,10-21,33,36-37,39,43,48,57,79-80H,6,9,22-32,34-35,38H2,1-4H3,(H,69,84)(H,70,83)(H,72,85)(H,73,88)(H3,67,68,87)/t43-,48+,57+/m1/s1
SMILES Code
CC([C@@H](C(N[C@H](C(Nc1ccc(COC(N(CCN(C(Oc(cc2c3[C@H](CCl)CN2C(c(c4)nc5n4cc(NC(c6ccc(O)cc6)=O)cc5)=O)c7c3c(C)ccc7)=O)CCOCCO)C)=O)cc1)=O)CCCNC(N)=O)=O)NC(OCCOCCN8C(C=CC8=O)=O)=O)C
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

Preparing Stock Solutions

The following data is based on the product molecular weight 1,331.83 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: Xu Z, Guo D, Jiang Z, Tong R, Jiang P, Bai L, Chen L, Zhu Y, Guo C, Shi J, Yu D. Novel HER2-Targeting Antibody-Drug Conjugates of Trastuzumab Beyond T-DM1 in Breast Cancer: Trastuzumab Deruxtecan(DS-8201a) and (Vic-)Trastuzumab Duocarmazine (SYD985). Eur J Med Chem. 2019 Dec 1;183:111682. doi: 10.1016/j.ejmech.2019.111682. Epub 2019 Sep 6. PMID: 31563805. 2: Banerji U, van Herpen CML, Saura C, Thistlethwaite F, Lord S, Moreno V, Macpherson IR, Boni V, Rolfo C, de Vries EGE, Rottey S, Geenen J, Eskens F, Gil- Martin M, Mommers EC, Koper NP, Aftimos P. Trastuzumab duocarmazine in locally advanced and metastatic solid tumours and HER2-expressing breast cancer: a phase 1 dose-escalation and dose-expansion study. Lancet Oncol. 2019 Aug;20(8):1124-1135. doi: 10.1016/S1470-2045(19)30328-6. Epub 2019 Jun 27. PMID: 31257177. 3: Rinnerthaler G, Gampenrieder SP, Greil R. HER2 Directed Antibody-Drug- Conjugates beyond T-DM1 in Breast Cancer. Int J Mol Sci. 2019 Mar 5;20(5):1115. doi: 10.3390/ijms20051115. PMID: 30841523; PMCID: PMC6429068. 4: Kaplon H, Reichert JM. Antibodies to watch in 2019. MAbs. 2019 Feb/Mar;11(2):219-238. doi: 10.1080/19420862.2018.1556465. Epub 2018 Dec 22. PMID: 30516432; PMCID: PMC6380461. 5: Bartsch R, Bergen E. ASCO 2018: highlights in HER2-positive metastatic breast cancer. Memo. 2018;11(4):280-283. doi: 10.1007/s12254-018-0441-x. Epub 2018 Oct 11. PMID: 30595754; PMCID: PMC6280772. 6: Hackshaw MD, Danysh HE, Singh J, Ritchey ME, Ladner A, Taitt C, Camidge DR, Iwata H, Powell CA. Incidence of pneumonitis/interstitial lung disease induced by HER2-targeting therapy for HER2-positive metastatic breast cancer. Breast Cancer Res Treat. 2020 Aug;183(1):23-39. doi: 10.1007/s10549-020-05754-8. Epub 2020 Jun 26. PMID: 32591987; PMCID: PMC7376509. 7: Gampenrieder SP, Castagnaviz V, Rinnerthaler G, Greil R. Treatment Landscape for Patients with HER2-Positive Metastatic Breast Cancer: A Review on Emerging Treatment Options. Cancer Manag Res. 2020 Oct 27;12:10615-10629. doi: 10.2147/CMAR.S235121. PMID: 33149670; PMCID: PMC7602897. 8: New ADC Shrinks HER2-Positive Tumors. Cancer Discov. 2019 Sep;9(9):1151-1152. doi: 10.1158/2159-8290.CD-NB2019-089. Epub 2019 Aug 2. PMID: 31375517. 9: Eiger D, Agostinetto E, Saúde-Conde R, de Azambuja E. The Exciting New Field of HER2-Low Breast Cancer Treatment. Cancers (Basel). 2021 Mar 1;13(5):1015. doi: 10.3390/cancers13051015. PMID: 33804398; PMCID: PMC7957750.