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Apostatin-1

CAT: 0013-GTR19155754-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19155754-07Size:100 mg
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Description
Apostatin-1 is a novel TRADD inhibitor. Apostatin-1 can bind to a pocket on the N-terminal TRAF2 binding domain of TRADD.
CAS Number
2559703-06-7
Product Name Alternative
Apt-1
Purity
>98% (HPLC)
Solubility
DMSO:65mg/ml (188.13mM; need ultrasonic) ; Ethanol:9mg/ml (26.06mM; need ultrasonic)
Smiles
O=C (NC1CCCCCC1) C (C2=CC=CC=C2) SC3=NCCN3C
Molecular Formula
C19H27N3OS
Molecular Weight
345.5
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Apostatin-1
CAS Number2559703-06-7
PubChem CID154824620
IUPAC NameN-cycloheptyl-2-[(1-methyl-4,5-dihydroimidazol-2-yl)sulfanyl]-2-phenylacetamide
Molecular FormulaC19H27N3OS
Molecular Weight345.5
XLogP3.7
Topological Polar Surface Area70
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity440
SMILES
CN1CCN=C1SC(C2=CC=CC=C2)C(=O)NC3CCCCCC3
InChI
InChI=1S/C19H27N3OS/c1-22-14-13-20-19(22)24-17(15-9-5-4-6-10-15)18(23)21-16-11-7-2-3-8-12-16/h4-6,9-10,16-17H,2-3,7-8,11-14H2,1H3,(H,21,23)
InChIKey
OXBMBNASDMMXSA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Apostatin-1
CAS: 2559703-06-7
CID: 154824620
Formula: C19H27N3OS
MW: 345.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight345.5
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass345.18748367
Monoisotopic Mass345.18748367
Topological Polar Surface Area70 Ų
Heavy Atom Count24
Formal Charge0
Complexity440
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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MBS3613789-01Apostatin-1
S9705-01Apostatin-1 (Apt-1)
297272-011,1,1,1,1-Kestoheptaose
T5790-011,1,1,1-Kestohexaose
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