WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H556023
CAS#: 1638970-43-0
Description: XQN70430, also known as MC-Ala-Ala-Asn(Trt)-PAB, is a hetero bifunctional cross-linker, useful in antibody drug conjugation (ADC). XQN70430 is a fissionable linker which is specifically activated in a tumor microenvironment. XQN70430 was reported in patent WO 2016026458. This product has no formal name at the moment. For the convenience of communication, a temporal code name was therefore proposed according to Hodoodo Chemical Nomenclature (see web page: https://www.hodoodo.com/page/naming).
Hodoodo Cat#: H556023
Name: XQN70430
CAS#: 1638970-43-0
Chemical Formula: C46H50N6O8
Exact Mass: 814.37
Molecular Weight: 814.940
Elemental Analysis: C, 67.80; H, 6.18; N, 10.31; O, 15.71
Synonym: MC-Ala-Ala-Asn(Trt)-PAB; XQN70430; XQN-70430; XQN 70430;
IUPAC/Chemical Name: (S)-2-((S)-2-((S)-2-(7-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)heptanamido)propanamido)propanamido)-N1-(4-hydroxyphenyl)-N4-tritylsuccinamide
InChi Key: XFPHUWWFIUTOLG-QXGWMLRCSA-N
InChi Code: InChI=1S/C46H50N6O8/c1-31(47-39(54)22-14-3-4-15-29-52-41(56)27-28-42(52)57)43(58)48-32(2)44(59)50-38(45(60)49-36-23-25-37(53)26-24-36)30-40(55)51-46(33-16-8-5-9-17-33,34-18-10-6-11-19-34)35-20-12-7-13-21-35/h5-13,16-21,23-28,31-32,38,53H,3-4,14-15,22,29-30H2,1-2H3,(H,47,54)(H,48,58)(H,49,60)(H,50,59)(H,51,55)/t31-,32-,38-/m0/s1
SMILES Code: O=C(C[C@H](NC([C@@H](NC([C@@H](NC(CCCCCCN1C(C=CC1=O)=O)=O)C)=O)C)=O)C(NC2=CC=C(C=C2)O)=O)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
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:
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The following data is based on the product molecular weight 814.94 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 |
| Formulation protocol: | |
| In vitro protocol: | |
| In vivo protocol: |
