Products for Research Use Only

ABT-770

CAT: 0013-GTR19195969-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195969-02Size:50 mg
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Description
ABT-770 is a potent, selective, and orally bioavailable matrix metalloproteinase (MMP) inhibitor. It has demonstrated significant efficacy in reducing tumor growth in vivo within animal cancer models, supporting its research use in oncology and metastasis studies.
CAS Number
220614-50-6
Field of Research
Protein Biochemistry
Smiles
O (C (F) (F) F) C1=CC=C (C=C1) C2=CC=C (OC[C@H] (CN3C (=O) C (C) (C) NC3=O) N (C=O) O) C=C2
Molecular Formula
C22H22F3N3O6
Molecular Weight
481.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Abt-770

structure in first source

CAS Number220614-50-6
PubChem CID9869811
IUPAC NameN-[(2S)-1-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-[4-[4-(trifluoromethoxy)phenyl]phenoxy]propan-2-yl]-N-hydroxyformamide
Molecular FormulaC22H22F3N3O6
Molecular Weight481.4
XLogP3.3
Topological Polar Surface Area108
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count34
Formal Charge0
Complexity734
SMILES
CC1(C(=O)N(C(=O)N1)C[C@@H](COC2=CC=C(C=C2)C3=CC=C(C=C3)OC(F)(F)F)N(C=O)O)C
InChI
InChI=1S/C22H22F3N3O6/c1-21(2)19(30)27(20(31)26-21)11-16(28(32)13-29)12-33-17-7-3-14(4-8-17)15-5-9-18(10-6-15)34-22(23,24)25/h3-10,13,16,32H,11-12H2,1-2H3,(H,26,31)/t16-/m0/s1
InChIKey
IIHFBHZWJNGWRC-INIZCTEOSA-N
Chemical Structure
2D Structure
2D structure of Abt-770
CAS: 220614-50-6
CID: 9869811
Formula: C22H22F3N3O6
MW: 481.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight481.4
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass481.14606992
Monoisotopic Mass481.14606992
Topological Polar Surface Area108 Ų
Heavy Atom Count34
Formal Charge0
Complexity734
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes