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SPL-707

CAT: 0013-GTR19203073-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203073-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SPL-707 is a potent and selective small molecule inhibitor of signal peptide peptidase-like 2a (SPPL2a), exhibiting an IC50 of 80 nM. This inhibitor is a valuable research tool for investigating the role of SPPL2a in intramembrane proteolysis, with applications in immunological and neurodegenerative disease research using both cellular and animal models.
CAS Number
2195361-33-0
Field of Research
Neuroscience, Protein Biochemistry, Stem Cell & Developmental Biology
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
Storage Conditions
-20°C
Notes
For research use only.

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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