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[ CAS No. 3433-37-2 ] {[proInfo.proName]}

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Chemical Structure| 3433-37-2
Chemical Structure| 3433-37-2
Structure of 3433-37-2 * Storage: {[proInfo.prStorage]}

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Product Citations

Product Citations

Li, Bowen ; Manan, Rajith Singh ; Liang, Shun-Qing , et al. DOI: PubMed ID:

Abstract: The expanding applications of nonviral genomic medicines in the lung remain restricted by delivery challenges. Here, leveraging a high-throughput platform, we synthesize and screen a combinatorial library of biodegradable ionizable lipids to build inhalable delivery vehicles for mRNA and CRISPR-Cas9 gene editors. Lead lipid nanoparticles are amenable for repeated intratracheal dosing and could achieve efficient gene editing in lung epithelium, providing avenues for gene therapy of congenital lung diseases.

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Product Details of [ 3433-37-2 ]

CAS No. :3433-37-2 MDL No. :MFCD00005987
Formula : C6H13NO Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 115.17 Pubchem ID :-
Synonyms :

Calculated chemistry of [ 3433-37-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 8
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 36.72
TPSA : 32.26 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.99 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.61
Log Po/w (XLOGP3) : 0.02
Log Po/w (WLOGP) : -0.26
Log Po/w (MLOGP) : 0.21
Log Po/w (SILICOS-IT) : 0.96
Consensus Log Po/w : 0.51

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -0.5
Solubility : 36.4 mg/ml ; 0.316 mol/l
Class : Very soluble
Log S (Ali) : -0.25
Solubility : 64.9 mg/ml ; 0.563 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.86
Solubility : 15.8 mg/ml ; 0.137 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.56

Safety of [ 3433-37-2 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P403+P233-P405-P501 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 3433-37-2 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 3433-37-2 ]
  • Downstream synthetic route of [ 3433-37-2 ]

[ 3433-37-2 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 3433-37-2 ]
  • [ 688809-98-5 ]
Reference: [1] Patent: WO2011/149827, 2011, A1,
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