UCSF

ZINC12859773

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2008 9 No

Other Names:

(E)-3-[amino(dimethylamino)methylidene]guanidine

formin

1,1-Dimethyl biguanide

1,1-Dimethylbiguanide

1,1-Dimethylbiguanide hydrochloride

1,1-Dimethylbiguanide hydrochloride, 97%

1,1-Dimethylbiguanide hydrochloride; 1,1-Dimethylbiguanide monohydrochloride; AI3-51264; Apo-Metformin; Benofomin; Biguanide, 1,1-dimethyl-, hydrochloride; Biguanide, 1,1-dimethyl-, monohydrochloride; Biocos; C4H11N5.HCl; D 15095; D.B.I; DMGG hydrochlorid

1,1-Dimethylbiguanide; Biguanide, 1,1-dimethyl-; C4H11N5; DMGG; Diabetosan; Diabex; Dimethylbiguanide; Dimethylbiguanidine; Dimethyldiguanide; Dimethylguanylguanidine; EINECS 211-517-8; Fluamine; Flumamine; Glifage; Gliguanid; Glucophage; Glumetza; Haurym

1-carbamimidamido-N,N-dimethylmethanimidamide

1115-70-4; D00944; Glucophage (TN); Metformin hydrochloride (JP16/USP)

1115-70-4; Metformin hydrochloride; Prestwick_519

3-(diaminomethylidene)-1,1-dimethylguanidine

657-24-9

657-24-9; C07151; Metformin

657-24-9; D04966; Metformin (USAN/INN)

AC1L1HE4

AKOS000121065

BIDD:GT0697

BIGUANIDE, 1,1-DIMETHYL-

BPBio1_000009

BRD-K79602928-003-04-1

BRD-K79602928-003-08-2

BSPBio_000007

BSPBio_002314

C07151

C4H11N5

CAS-1115-70-4

CCRIS 9321

CHEBI:6801

CHEMBL1431

CID4091

cMAP_000016

D04966

DAP000205

DB00331

Diabetase

Diabetosan

Diabex

Dimethylbiguanide

Dimethylbiguanidine

Dimethyldiguanide

Dimethylguanylguanidine

DMGG

EINECS 211-517-8

FDA)

Fluamine

Flumamine

Fortamet

Gen-Metformin

Glifage

Gliguamid

Gliguanid

Glucamet

Glucinan

Glucophage

Glucophege

Glumetza

Glycon

Haurymelin

HMS2089D19

HSCI1_000295

Imidodicarbonimidic diamide, N,N-dimethyl-

Imidodicarbonimidic diamide-, N,N-dimethyl-

INN

Islotin

JAN

Janumet

KBio2_002310

KBio2_004878

KBio2_007446

KBio3_002790

KBioGR_002310

KBioSS_002312

LA-6023

LS-190318

LS-43899

Melbin

Metformin

Metformin (BAN

Metformin (USAN/INN)

METFORMIN HCL

Metformin Hydrochloride (FDA

Metformin [USAN:INN:BAN]

Metformin, HCl

Metformina

Metformina [DCIT]

Metformina [Spanish]

Metformine

Metformine [INN-French]

Metforminum

Metforminum [INN-Latin]

Metiguanide

MFCD00012582

MFCD00242652

MolPort-002-929-560

MolPort-004-288-389

MolPort-005-767-418

N,N-Dimethylbiguanide

N,N-Dimethyldiguanide

N,N-dimethylimidodicarbonimidic diamide

N1,N1-Dimethylbiguanide

NCGC00016564-01

NCGC00016564-02

NCGC00016564-03

NNDG

Nu-Metformin

Orabet

Prestwick0_000004

Prestwick1_000004

Prestwick2_000004

Prestwick3_000004

Riomet

S2483_Selleck

Siofor

SPBio_001928

Stagid

STK011633

T5895664

UNII-9100L32L2N

USAN

USAN)

USAN); Metformin HCl (FDA

USAN); Metformin HCl (USP

USP)

USP); Metformin (BAN

ZINC12859773

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.13 3.38 -9.57 5 5 0 89 129.167 3
Mid Mid (pH 6-8) -1.26 2.21 -25.45 6 5 1 93 130.175 2
Lo Low (pH 4.5-6) -1.13 3.29 -32.15 6 5 1 91 130.175 3
Lo Low (pH 4.5-6) -1.13 3.35 -27.94 6 5 1 91 130.175 3

Vendor Notes

Note Type Comments Provided By
Mp [°C] 218 - 223 Acros Organics
MP 223 - 226 Enamine Building Blocks
MP 223...226 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Indications antidiabetic KeyOrganics Bioactives
Purity EP98 APIChem
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H335: May cause respiratory irritation; H315: Causes skin irritation Acros Organics
biological_use Oral hypoglycaemic agent IBScreen Bioactives IBScreen Bioactives
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
mechanism Stimulator of hepatic enzyme AMP-activated protein kinase (AMPK) IBScreen Bioactives
Indications type II diabetes KeyOrganics Bioactives
biological_use Used for treatment of type 2 diabetes IBScreen Bioactives
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z81020-6-O HepG2 (Hepatoblastoma Cells) (cluster #6 Of 8), Other Other 270 1.02 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z81020 Z81020 HepG2 (Hepatoblastoma Cells) 270 1.02 Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )