MC-Val-Cit-PAB-dimethylDNA31 is a drug-linker conjugate for ADC with potent antitumor activity by using dimethylDNA31, linked via the ADC linker MC-Val-Cit-PAB. DimethylDNA31 has effective bactericidal activity against persisters and stationary-phase S. aureus.

Product information

CAS Number: 1639352-06-9

Molecular Weight: 1482.69

Formula: C78H101N10O19

Chemical Name: 1-[(7S,11S,12R,13S,14R,15R,16R,17S,18S)-13-(acetyloxy)-2,6,15,17-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.1⁴,⁷.0⁵,³⁶.0²⁶,³⁵.0²⁸,³³]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-30-yl]-N-({4-[(2S)-5-(carbamoylamino)-2-[(2S)-2-[6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido]-3-methylbutanamido]pentanamido]phenyl}methyl)-N,N-dimethylpiperidin-4-aminium

Smiles: CC(C)[C@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)NC1=CC=C(C[N+](C)(C)C2CCN(CC2)C2C=C3OC4=C5NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](C=CO[C@@]6(C)OC7C(=C6O)C(=C4N=C3C(=O)C=2)C(=C(O)C=7C)C5=O)OC)C=C1 |c:81,t:59,61|

InChiKey: ZPRVTBDKPIFAGV-KNEYPXCVSA-O

InChi: InChI=1S/C78H100N10O19/c1-40(2)62(83-56(91)22-15-14-16-33-87-57(92)27-28-58(87)93)76(101)82-52(21-18-32-80-77(79)102)75(100)81-49-25-23-48(24-26-49)39-88(11,12)51-29-34-86(35-30-51)50-37-53(90)63-55(38-50)106-72-64(84-63)59-60-68(96)46(8)71-61(59)73(98)78(10,107-71)104-36-31-54(103-13)43(5)70(105-47(9)89)45(7)67(95)44(6)66(94)41(3)19-17-20-42(4)74(99)85-65(72)69(60)97/h17,19-20,23-28,31,36-38,40-41,43-45,51-52,54,62,66-67,70,94-95H,14-16,18,21-22,29-30,32-35,39H2,1-13H3,(H8-,79,80,81,82,83,84,85,90,91,92,93,96,97,98,99,100,101,102)/p+1/b19-17-,36-31-,42-20-/t41-,43+,44+,45+,52-,54-,62-,66-,67+,70+,78-/m0/s1

Technical Data

Appearance: Solid Power

Purity: ≥98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis

Storage Condition: Dry, dark and -20 ^oC for 1 year or refer to the Certificate of Analysis.

Shelf Life: ≥12 months if stored properly.

Stock Solution Storage: 0 - 4 ^oC for 1 month or refer to the Certificate of Analysis.

Drug Formulation: To be determined

HS Tariff Code: 382200

Products are for research use only. Not for human use.