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Cryptophycin analog 1

CAT: 0013-GTR19235768-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19235768-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Cryptophycin analog 1 is a potent microtubule-disrupting agent developed as a next-generation ADC payload. It demonstrates significantly enhanced cellular cytotoxicity, exceeding the potency of MMAE and DM1 in vitro. Its application is primarily in oncology research for evaluating novel antibody-drug conjugates in preclinical models.
CAS Number
1260431-28-4
Smiles
[C@@H] (C) ([C@@]1 ([C@H] (O1) C2=CC=C (CN) C=C2) [H]) [C@]3 (OC (=O) [C@H] (CC (C) C) OC (=O) C (C) (C) CNC (=O) [C@@H] (CC4=CC (Cl) =C (OC) C=C4) NC (=O) \C=C\C3) [H]
Molecular Formula
C37H48ClN3O8
Molecular Weight
698.24
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cryptophycin analog 1
CAS Number1260431-28-4
PubChem CID57480153
IUPAC Name(3S,10R,13E,16S)-16-[(1S)-1-[(2R,3R)-3-[4-(aminomethyl)phenyl]oxiran-2-yl]ethyl]-10-[(3-chloro-4-methoxyphenyl)methyl]-6,6-dimethyl-3-(2-methylpropyl)-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
Molecular FormulaC37H48ClN3O8
Molecular Weight698.2
XLogP5.4
Topological Polar Surface Area159
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count49
Formal Charge0
Complexity1170
SMILES
C[C@@H]([C@@H]1C/C=C/C(=O)N[C@@H](C(=O)NCC(C(=O)O[C@H](C(=O)O1)CC(C)C)(C)C)CC2=CC(=C(C=C2)OC)Cl)[C@@H]3[C@H](O3)C4=CC=C(C=C4)CN
InChI
InChI=1S/C37H48ClN3O8/c1-21(2)16-30-35(44)47-28(22(3)32-33(49-32)25-13-10-23(19-39)11-14-25)8-7-9-31(42)41-27(18-24-12-15-29(46-6)26(38)17-24)34(43)40-20-37(4,5)36(45)48-30/h7,9-15,17,21-22,27-28,30,32-33H,8,16,18-20,39H2,1-6H3,(H,40,43)(H,41,42)/b9-7+/t22-,27+,28-,30-,32+,33+/m0/s1
InChIKey
VGYCIPORVJQZDT-YXCXXXRFSA-N
Chemical Structure
2D Structure
2D structure of Cryptophycin analog 1
CAS: 1260431-28-4
CID: 57480153
Formula: C37H48ClN3O8
MW: 698.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight698.2
XLogP35.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass697.3129932
Monoisotopic Mass697.3129932
Topological Polar Surface Area159 Ų
Heavy Atom Count49
Formal Charge0
Complexity1170
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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