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[ CAS No. 29816-01-1 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 29816-01-1
Chemical Structure| 29816-01-1
Structure of 29816-01-1 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 29816-01-1 ]

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Product Details of [ 29816-01-1 ]

CAS No. :29816-01-1 MDL No. :MFCD00038193
Formula : C5H10N2O3 Boiling Point : -
Linear Structure Formula :- InChI Key :VYAMLSCELQQRAE-UHFFFAOYSA-N
M.W : 146.14 Pubchem ID :93131
Synonyms :
Glycylsarcosine;Gly-Sar

Calculated chemistry of [ 29816-01-1 ]

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.6
Num. rotatable bonds : 4
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 33.72
TPSA : 83.63 Ų

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) : -9.94 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.69
Log Po/w (XLOGP3) : -3.87
Log Po/w (WLOGP) : -1.51
Log Po/w (MLOGP) : -1.37
Log Po/w (SILICOS-IT) : -1.63
Consensus Log Po/w : -1.54

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : 1.96
Solubility : 13200.0 mg/ml ; 90.4 mol/l
Class : Highly soluble
Log S (Ali) : 2.71
Solubility : 74700.0 mg/ml ; 511.0 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : 0.65
Solubility : 645.0 mg/ml ; 4.42 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.26

Safety of [ 29816-01-1 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 29816-01-1 ]

* 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.

  • Downstream synthetic route of [ 29816-01-1 ]

[ 29816-01-1 ] Synthesis Path-Downstream   1~42

  • 4
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  • ethyl glycylsarcosinate hydrochloride [ No CAS ]
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  • (N-Cl)-Gly-Sar [ No CAS ]
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  • [ 562814-60-2 ]
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  • 1-methylpiperazin-2,5-dithione [ No CAS ]
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  • 1-methyl-5-thioxopiperazin-2-one [ No CAS ]
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  • 1-[(6-chloropyridin-3-yl)methyl]-4-methyl-5-oxopiperazin-2-ylidenecyanamide [ No CAS ]
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  • [ 59136-05-9 ]
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  • cis-1-benzyl-3,6-dimercapto-4-methylpiperazine-2,5-dione [ No CAS ]
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  • [ 155090-89-4 ]
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  • 1-benzyl-4-methylepidithiopiperazine-2,5-dione [ No CAS ]
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  • [ 29816-01-1 ]
  • cis-3,6-di(acetylthio)-1-benzyl-4-methylpiperazine-2,5-dione [ No CAS ]
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  • [ 131996-63-9 ]
  • [ 29816-01-1 ]
  • [ 90-02-8 ]
  • [VO(OC6H4CHNCH2CON(CH3)CH2COO)(H2O)] [ No CAS ]
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  • [ 1515605-90-9 ]
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  • (-)-sandramycin [ No CAS ]
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  • [ 1515606-23-1 ]
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  • [ 1515605-87-4 ]
  • 39
  • [ 29816-01-1 ]
  • (3R,7S,16S,23R,27S,36S)-3,23-Diamino-7,27-diisopropyl-8,11,28,31-tetramethyl-5,25-dioxa-1,8,11,14,21,28,31,34-octaaza-tricyclo[34.4.0.016,21]tetracontane-2,6,9,12,15,22,26,29,32,35-decaone [ No CAS ]
  • 40
  • [ 29816-01-1 ]
  • [ 24424-99-5 ]
  • [ 133498-97-2 ]
  • 41
  • [ 29816-01-1 ]
  • [ 24424-99-5 ]
  • [ 1515605-55-6 ]
  • 42
  • C35H54N14O10 [ No CAS ]
  • [ 29816-01-1 ]
  • C30H46N12O8 [ No CAS ]
YieldReaction ConditionsOperation in experiment
In aq. phosphate buffer;Kinetics; The rate of cleavage for additional dipeptides linkedto the model hexapeptide (HSRGTF-NH2 SEQ ID NO: 2)were determined using the procedures described in Example1. The results generated in these experiments are presented inTables 3 and 4.
Same Skeleton Products
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