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SPL-707

CAT: 0931-T16921-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T16921-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2195361-33-0
Target
Others, Gamma-secretase
Related Pathways
Neuroscience, Proteases/Proteasome, Others, Stem Cells
Bioactivity
SPL-707 is an effective and selective signal peptide peptidase-like 2a inhibitor (IC50: 80 nM) .
Smiles
Cc1ncc(F)cc1NC(=O)C[C@@H](C1CC1)C(=O)N[C@H]1c2ccccc2C(=O)N2CC3(CC3)CN2C1=O
Molecular Formula
C27H28FN5O4
Molecular Weight
505.54
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2S)-2-cyclopropyl-N-[(6S)-5,11-dioxospiro[3,6-dihydro-1H-pyrazolo[1,2-b][2,3]benzodiazepine-2,1'-cyclopropane]-6-yl]-N'-(5-fluoro-2-methylpyridin-3-yl)butanediamide
CAS Number2195361-33-0
PubChem CID134691740
IUPAC Name(2S)-2-cyclopropyl-N-[(6S)-5,11-dioxospiro[3,6-dihydro-1H-pyrazolo[1,2-b][2,3]benzodiazepine-2,1'-cyclopropane]-6-yl]-N'-(5-fluoro-2-methyl-3-pyridinyl)butanediamide
Molecular FormulaC27H28FN5O4
Molecular Weight505.5
XLogP1.9
Topological Polar Surface Area112
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count37
Formal Charge0
Complexity968
SMILES
CC1=C(C=C(C=N1)F)NC(=O)C[C@@H](C2CC2)C(=O)N[C@H]3C4=CC=CC=C4C(=O)N5CC6(CC6)CN5C3=O
InChI
InChI=1S/C27H28FN5O4/c1-15-21(10-17(28)12-29-15)30-22(34)11-20(16-6-7-16)24(35)31-23-18-4-2-3-5-19(18)25(36)32-13-27(8-9-27)14-33(32)26(23)37/h2-5,10,12,16,20,23H,6-9,11,13-14H2,1H3,(H,30,34)(H,31,35)/t20-,23-/m0/s1
InChIKey
WLQXBRYTQYYCMW-REWPJTCUSA-N
Chemical Structure
2D Structure
2D structure of (2S)-2-cyclopropyl-N-[(6S)-5,11-dioxospiro[3,6-dihydro-1H-pyrazolo[1,2-b][2,3]benzodiazepine-2,1'-cyclopropane]-6-yl]-N'-(5-fluoro-2-methylpyridin-3-yl)butanediamide
CAS: 2195361-33-0
CID: 134691740
Formula: C27H28FN5O4
MW: 505.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight505.5
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass505.21253255
Monoisotopic Mass505.21253255
Topological Polar Surface Area112 Ų
Heavy Atom Count37
Formal Charge0
Complexity968
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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