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DL-01

CAT: 0013-GTR19218479-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19218479-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DL-01 is a drug-linker conjugate utilized in the synthesis of antibody-drug conjugates (ADCs) . It enables targeted delivery of cytotoxic agents in oncology research, with applications in in vitro cell assays and in vivo animal models for ADC development and evaluation.
CAS Number
2821770-49-2
Smiles
C (CCOCNC (CNC ([C@@H] (NC ([C@@H] (NC (CCCC#CC=1C=NC (S (C) (=O) =O) =NC1) =O) [C@H] (C) C) =O) CCCCN (CCC) CCC) =O) =O) C2=C3C (C=4N (C3) C (=O) C5=C (C4) [C@] (CC) (O) C (=O) OC5) =NC=6C2=CC7=C (C6) OCO7
Molecular Formula
C55H71N9O13S
Molecular Weight
1098.27
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-((11S,14S)-11-(4-(Dipropylamino)butyl)-1-((S)-7-ethyl-7-hydroxy-8,11-dioxo-7,8,11,13-tetrahydro-10H-[1,3]dioxolo[4,5-g]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-14-yl)-15-methyl-7,10,13-trioxo-4-oxa-6,9,12-triazahexadecan-14-yl)-6-(2-(methylsulfonyl)pyrimidin-5-yl)hex-5-ynamide
CAS Number2821770-49-2
PubChem CID164872999
IUPAC Name(2S)-6-(dipropylamino)-N-[2-[3-[(5S)-5-ethyl-5-hydroxy-6,10-dioxo-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaen-14-yl]propoxymethylamino]-2-oxoethyl]-2-[[(2S)-3-methyl-2-[6-(2-methylsulfonylpyrimidin-5-yl)hex-5-ynoylamino]butanoyl]amino]hexanamide
Molecular FormulaC55H71N9O13S
Molecular Weight1098.3
XLogP3.5
Topological Polar Surface Area295
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count17
Rotatable Bond Count28
Heavy Atom Count78
Formal Charge0
Complexity2390
SMILES
CCCN(CCC)CCCC[C@@H](C(=O)NCC(=O)NCOCCCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=CC6=C(C=C51)OCO6)NC(=O)[C@H](C(C)C)NC(=O)CCCC#CC7=CN=C(N=C7)S(=O)(=O)C
InChI
InChI=1S/C55H71N9O13S/c1-7-20-63(21-8-2)22-14-13-18-41(61-51(68)48(34(4)5)62-46(65)19-12-10-11-16-35-27-57-54(58-28-35)78(6,72)73)50(67)56-29-47(66)59-32-74-23-15-17-36-37-24-44-45(77-33-76-44)26-42(37)60-49-38(36)30-64-43(49)25-40-39(52(64)69)31-75-53(70)55(40,71)9-3/h24-28,34,41,48,71H,7-10,12-15,17-23,29-33H2,1-6H3,(H,56,67)(H,59,66)(H,61,68)(H,62,65)/t41-,48-,55-/m0/s1
InChIKey
HZTIRNJXQJVRDP-OPQNLWLXSA-N
Chemical Structure
2D Structure
2D structure of N-((11S,14S)-11-(4-(Dipropylamino)butyl)-1-((S)-7-ethyl-7-hydroxy-8,11-dioxo-7,8,11,13-tetrahydro-10H-[1,3]dioxolo[4,5-g]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-14-yl)-15-methyl-7,10,13-trioxo-4-oxa-6,9,12-triazahexadecan-14-yl)-6-(2-(methylsulfonyl)pyrimidin-5-yl)hex-5-ynamide
CAS: 2821770-49-2
CID: 164872999
Formula: C55H71N9O13S
MW: 1098.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1098.3
XLogP33.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count17
Rotatable Bond Count28
Exact Mass1097.48920453
Monoisotopic Mass1097.48920453
Topological Polar Surface Area295 Ų
Heavy Atom Count78
Formal Charge0
Complexity2390
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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