A vasopressin V1a receptor antagonist
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RO5028442

Item No. 31452

Product Insert (PDF)Safety Data Sheet (SDS) (PDF)
Technical Information
Formal Name
[6-chloro-1-[2-(dimethylamino)ethyl]-1H-indol-3-yl]spiro[isobenzofuran-1(3H),4′-piperidin]-1′-yl-methanone
CAS Number
920022-47-5
Molecular Formula
C25H28ClN3O2
Formula Weight
438.0
Purity
≥98%
Formulation
A crystalline solid
Solubility(Learn about Variance in Solubility)
Chloroform: 10 mg/ml
λmax
224 nm
SMILES
O=C(N1CCC2(CC1)OCC3=C2C=CC=C3)C4=CN(CCN(C)C)C5=C4C=CC(Cl)=C5
InChi Code
InChI=1S/C25H28ClN3O2/c1-27(2)13-14-29-16-21(20-8-7-19(26)15-23(20)29)24(30)28-11-9-25(10-12-28)22-6-4-3-5-18(22)17-31-25/h3-8,15-16H,9-14,17H2,1-2H3
InChi Key
QZXVLRCMAHJVIP-UHFFFAOYSA-N
Shipping & Storage Information
Storage
-20°C
Shipping
Wet ice in continental US; may vary elsewhere
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    10 mg

    $63

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    50 mg

    $197

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    100 mg

    $363

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    250 mg

    $827

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    Product Description

    RO5028442 is a brain-penetrant antagonist of vasopressin V1a receptors (Kis = 1 and 39 nM for the human and mouse receptors, respectively).1 It is greater than 30,000-fold selective for V1 over V2 receptors, as well as over a panel of 120 receptors, ion channels, and enzymes at 3 µM.

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1. Ratni, H., Rogers-Evans, M., Bissantz, C., et al. Discovery of highly selective brain-penetrant vasopressin 1a antagonists for the potential treatment of autism via a chemogenomic and scaffold hopping approach. J. Med. Chem. 58(5), 2275-2289 (2015).