Account MPC-3100
- Catalog No. :
- ACKXVF202
- CAS No. :
- 958025-66-6
- Molecular Formula :
- C22H25BrN6O4S
- Molecular Weight :
- 549.45
IUPAC Name:(S)-1-(4-(2-(6-amino-8-((6-bromobenzo[d][1,3]dioxol-5-yl)thio)-9H-purin-9-yl)ethyl)piperidin-1-yl)-2-hydroxypropan-1-one
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Product Information
| Product Name | MPC-3100 |
|---|---|
| IUPAC Name | (S)-1-(4-(2-(6-amino-8-((6-bromobenzo[d][1,3]dioxol-5-yl)thio)-9H-purin-9-yl)ethyl)piperidin-1-yl)-2-hydroxypropan-1-one |
| Molecular Formula | C22H25BrN6O4S |
| Molecular Weight | 549.45 |
| SMILES | C[C@H](O)C(N1CCC(CCN2C(SC3=C(Br)C=C(OCO4)C4=C3)=NC5=C(N)N=CN=C25)CC1)=O |
| InChI Key | CVBWTNHDKVVFMI-LBPRGKRZSA-N |
| Synonym | MPC3100;(2S)-1-[4-[2-[6-Amino-8-[(6-bromo-1,3-benzodioxol-5-yl)thio]-9H-purin-9-yl]ethyl]-1-piperidinyl]-2-hydroxy-1-propanone;CS-215;(2S)-1-[4-[2-[6-amino-8-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]ethyl]piperidin-1-yl]-2-hydroxypropan-1-one;1-Propanone, 1-[4-[2-[6-amino-8-[(6-bromo-1,3-benzodioxol-5-yl)thio]-9H-purin-9-yl]ethyl]-1-piperidinyl]-2-hydroxy-, (2S)- |
| CAS No. | 958025-66-6 |
| PubChem CID | 57336747 |
Synthetic Route by SureRoute
2. ACKXVF202 Molecular Building Block Synthetic Route
(S)-1-(4-(2-(6-Amino-8-((6-bromobenzo[d][1,3]dioxol-5-yl)thio)-9H-purin-9-yl)ethyl)piperidin-1-yl)-2-hydroxypropan-1-one methanesulfonate hydrate
(S)-1-(4-(2-(6-Amino-8-((6-bromobenzo[d][1,3]dioxol-5-yl)thio)-9H-purin-9-yl)ethyl)piperidin-1-yl)-1-oxopropan-2-yl L-alaninate
8-((6-Bromobenzo[d][1,3]dioxol-5-yl)thio)-9-(pent-4-yn-1-yl)-9H-purin-6-amine