Tricine

Details

• Internal ID: 59de8d97-f325-4a4f-8127-e2675e2cec2c
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acids
• IUPAC Name: 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid
• SMILES (Canonical): C(C(=O)O)NC(CO)(CO)CO
• SMILES (Isomeric): C(C(=O)O)NC(CO)(CO)CO
• InChI: InChI=1S/C6H13NO5/c8-2-6(3-9,4-10)7-1-5(11)12/h7-10H,1-4H2,(H,11,12)
• InChI Key: SEQKRHFRPICQDD-UHFFFAOYSA-N
• Popularity: 5,325 references in papers

Physical and Chemical Properties

• Molecular Formula: C₆H₁₃NO₅
• Molecular Weight: 179.17 g/mol
• Exact Mass: 179.07937252 g/mol
• Topological Polar Surface Area (TPSA): 110.00 Ų
• XlogP: -5.10
• Atomic LogP (AlogP): -2.62
• H-Bond Acceptor: 5
• H-Bond Donor: 5
• Rotatable Bonds: 6

Synonyms

• 5704-04-1
• N-Tris(hydroxymethyl)methylglycine
• N-(Tri(hydroxymethyl)methyl)glycine
• N-[Tris(hydroxymethyl)methyl]glycine
• Glycine, N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-
• N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]glycine
• NSC 369995
• 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid
• W12LH4V8V3
• MFCD00004277
• NSC-369995
• 2-((1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl)amino)acetic acid
• n-(2-hydroxy-1,1-bis(hydroxymethyl)ethyl)glycine
• N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]glycine
• n-(tris(hydroxymethyl)methyl)glycine
• Glycine, N-(2-hydroxy-1,1-bis(hydroxymethyl)ethyl)-
• 2-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino}acetic acid
• C6H13NO5
• {[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]ammonio}acetate
• VLS
• Tricine, >=98%
• AI3-62523
• TRICINE [MI]
• UNII-W12LH4V8V3
• Tricine, >=99% (titration)
• DTXSID1063982
• CHEBI:39063
• HY-D0860
• EINECS 227-193-6
• NSC369995
• AKOS015856413
• DS-13693
• Tricine, Vetec(TM) reagent grade, >=99%
• CS-0015170
• FT-0651933
• T0682
• F20298
• A831289
• Q409516
• W-105489
• Tricine, anhydrous, free-flowing, Redi-Dri(TM), >=99%
• ([2-Hydroxy-1,1-bis(hydroxymethyl)ethyl]amino)acetic acid #
• 2-((1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl)amino)aceticacid
• 2-(1,3-dihydroxy-2-(hydroxymethyl)propan-2-ylamino)acetic acid
• 2-{[2-HYDROXY-1,1-BIS(HYDROXYMETHYL)ETHYL]AMINO}ACETIC ACID
• Tricine, BioPerformance Certified, cell culture tested, >=99% (titration)
• Tricine, BioXtra, pH 4.0-6.0 (1 M in H2O), >=99% (titration)

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
Human Intestinal Absorption	-	0.5405	54.05%
Caco-2	-	0.6454	64.54%
Blood Brain Barrier	-	0.5250	52.50%
Human oral bioavailability	+	0.7000	70.00%
Subcellular localzation	Mitochondria	0.4696	46.96%
OATP2B1 inhibitior	-	0.8559	85.59%
OATP1B1 inhibitior	+	0.9616	96.16%
OATP1B3 inhibitior	+	0.9163	91.63%
MATE1 inhibitior	-	1.0000	100.00%
OCT2 inhibitior	-	0.9750	97.50%
BSEP inhibitior	-	0.9669	96.69%
P-glycoprotein inhibitior	-	0.9784	97.84%
P-glycoprotein substrate	-	0.9781	97.81%
CYP3A4 substrate	-	0.7887	78.87%
CYP2C9 substrate	-	0.8024	80.24%
CYP2D6 substrate	-	0.7730	77.30%
CYP3A4 inhibition	-	0.9557	95.57%
CYP2C9 inhibition	-	0.9412	94.12%
CYP2C19 inhibition	-	0.9133	91.33%
CYP2D6 inhibition	-	0.8953	89.53%
CYP1A2 inhibition	-	0.7323	73.23%
CYP2C8 inhibition	-	0.9876	98.76%
CYP inhibitory promiscuity	-	0.9753	97.53%
UGT catelyzed	+	0.7000	70.00%
Carcinogenicity (binary)	-	0.9200	92.00%
Carcinogenicity (trinary)	Non-required	0.6473	64.73%
Eye corrosion	-	0.9726	97.26%
Eye irritation	+	0.9812	98.12%
Skin irritation	-	0.7700	77.00%
Skin corrosion	-	0.9664	96.64%
Ames mutagenesis	-	0.8800	88.00%
Human Ether-a-go-go-Related Gene inhibition	-	0.7909	79.09%
Micronuclear	-	0.6100	61.00%
Hepatotoxicity	+	0.5250	52.50%
skin sensitisation	-	0.9410	94.10%
Respiratory toxicity	-	0.7889	78.89%
Reproductive toxicity	-	0.7667	76.67%
Mitochondrial toxicity	+	0.5500	55.00%
Nephrotoxicity	-	0.6268	62.68%
Acute Oral Toxicity (c)	III	0.5302	53.02%
Estrogen receptor binding	-	0.8989	89.89%
Androgen receptor binding	-	0.9217	92.17%
Thyroid receptor binding	-	0.8916	89.16%
Glucocorticoid receptor binding	-	0.8745	87.45%
Aromatase binding	-	0.7212	72.12%
PPAR gamma	-	0.8224	82.24%
Honey bee toxicity	-	0.9778	97.78%
Biodegradation	-	0.6250	62.50%
Crustacea aquatic toxicity	-	0.8700	87.00%
Fish aquatic toxicity	-	0.9151	91.51%

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL4040	P28482	MAP kinase ERK2	89.77%	83.82%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	85.57%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	84.71%	99.17%
CHEMBL2581	P07339	Cathepsin D	82.53%	98.95%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	82.14%	100.00%
CHEMBL221	P23219	Cyclooxygenase-1	80.59%	90.17%

Plants that contains it

• Arnica acaulis
• Arundo donax
• Millettia laurentii

Cross-Links

• PubChem: 79784
• LOTUS: LTS0039691
• wikiData: Q409516