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CL2A-FL118

CAT: 0013-GTR19249564-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19249564-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CL2A-FL118 is a drug-linker conjugate used in the construction of the antibody-drug conjugate (ADC) Sac-CL2A-FL118. This component is utilized in ADC research and development for targeted cancer therapy, with applications in both in vitro and in vivo experimental studies.
CAS Number
3025194-00-4
Smiles
O=C1N2C (C=3C (C2) =CC=4C (N3) =CC5=C (C4) OCO5) =CC6=C1COC (=O) [C@]6 (OC (OCC7=CC=C (NC ([C@@H] (NC (COCC (NCCOCCOCCOCCOCCOCCOCCOCCOCCN8C=C (CNC (=O) C9CCC (CN%10C (=O) C=CC%10=O) CC9) N=N8) =O) =O) CCCCN) =O) C=C7) =O) CC
Molecular Formula
C72H93N11O23
Molecular Weight
1480.57
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CL2A-FL118
CAS Number3025194-00-4
PubChem CID162689858
IUPAC Name[4-[[(2S)-6-amino-2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]hexanoyl]amino]phenyl]methyl [(5S)-5-ethyl-6,10-dioxo-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(13),2,4(9),14,16,21,23-heptaen-5-yl] carbonate
Molecular FormulaC72H93N11O23
Molecular Weight1480.6
XLogP-0.8
Topological Polar Surface Area407
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count27
Rotatable Bond Count49
Heavy Atom Count106
Formal Charge0
Complexity2970
SMILES
CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=C6C(=CC5=C4)OCO6)OC(=O)OCC7=CC=C(C=C7)NC(=O)[C@H](CCCCN)NC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCN8C=C(N=N8)CNC(=O)C9CCC(CC9)CN1C(=O)C=CC1=O
InChI
InChI=1S/C72H93N11O23/c1-2-72(56-37-59-66-52(41-82(59)69(90)55(56)44-102-70(72)91)35-51-36-60-61(105-47-104-60)38-58(51)78-66)106-71(92)103-43-49-8-12-53(13-9-49)76-68(89)57(5-3-4-16-73)77-63(85)46-101-45-62(84)74-17-19-93-21-23-95-25-27-97-29-31-99-33-34-100-32-30-98-28-26-96-24-22-94-20-18-81-42-54(79-80-81)39-75-67(88)50-10-6-48(7-11-50)40-83-64(86)14-15-65(83)87/h8-9,12-15,35-38,42,48,50,57H,2-7,10-11,16-34,39-41,43-47,73H2,1H3,(H,74,84)(H,75,88)(H,76,89)(H,77,85)/t48?,50?,57-,72-/m0/s1
InChIKey
OKAUBIJYYWJHQX-SZOFRYSFSA-N
Chemical Structure
2D Structure
2D structure of CL2A-FL118
CAS: 3025194-00-4
CID: 162689858
Formula: C72H93N11O23
MW: 1480.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1480.6
XLogP3-0.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count27
Rotatable Bond Count49
Exact Mass1479.64457826
Monoisotopic Mass1479.64457826
Topological Polar Surface Area407 Ų
Heavy Atom Count106
Formal Charge0
Complexity2970
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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