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Dalzanemdor

CAT: 0013-GTR19185740-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19185740-01Size:1 mg
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Description
Dalzanemdor (SAGE-718) is a positive allosteric modulator of the NMDA receptor. It is utilized in preclinical research to investigate cognitive dysfunction associated with neurological disorders such as Huntington's disease and Alzheimer's disease, employing both in vitro and in vivo experimental models.
CAS Number
1629853-48-0
Product Name Alternative
Dalzanemdor, iGluR, NMDA receptor, SAGE 718, SAGE718, SAGE-718
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
98.20% (May vary between batches)
Solubility
Chloroform:5.68 mg/mL (12.44 mM)
Smiles
C[C@@]12[C@@]3 ([C@] ([C@]4 ([C@] (C) (CC3) [C@@] ([C@@H] (CC[C@] ([C@@] (F) (F) F) (C) O) C) (CC4) [H]) [H]) (CC=C1C[C@@] (C) (O) CC2) [H]) [H]
Molecular Formula
C27H43F3O2
Molecular Weight
456.62
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dalzanemdor

Dalzanemdor is a small molecule drug. Dalzanemdor is under investigation in clinical trial NCT05655520 (A Study to Evaluate the Safety and Tolerability of SAGE-718 in Participants With Huntington's Disease). Dalzanemdor has a monoisotopic molecular weight of 456.32 Da.

CAS Number1629853-48-0
PubChem CID86305217
IUPAC Name(3S,8S,9S,10R,13R,14S,17R)-3,10,13-trimethyl-17-[(2R,5S)-6,6,6-trifluoro-5-hydroxy-5-methylhexan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
Molecular FormulaC27H43F3O2
Molecular Weight456.6
XLogP7.2
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity762
SMILES
C[C@H](CC[C@@](C)(C(F)(F)F)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@](C4)(C)O)C)C
InChI
InChI=1S/C27H43F3O2/c1-17(10-13-26(5,32)27(28,29)30)20-8-9-21-19-7-6-18-16-23(2,31)14-15-24(18,3)22(19)11-12-25(20,21)4/h6,17,19-22,31-32H,7-16H2,1-5H3/t17-,19+,20-,21+,22+,23+,24+,25-,26+/m1/s1
InChIKey
BVBRUQYHUXKZMQ-JNVAYQLDSA-N
Chemical Structure
2D Structure
2D structure of Dalzanemdor
CAS: 1629853-48-0
CID: 86305217
Formula: C27H43F3O2
MW: 456.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.6
XLogP37.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass456.32151510
Monoisotopic Mass456.32151510
Topological Polar Surface Area40.5 Ų
Heavy Atom Count32
Formal Charge0
Complexity762
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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BA6758-5Dalzanemdor
HY-147260B(Rac)-Dalzanemdor

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